N-(3-Cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-4-iodo-benzamide

SpectraBase Compound ID	E6yg31UCgwF
InChI	InChI=1S/C16H13IN2OS/c17-11-7-5-10(6-8-11)15(20)19-16-13(9-18)12-3-1-2-4-14(12)21-16/h5-8H,1-4H2,(H,19,20)
InChIKey	STDGXSZYCSXQFE-UHFFFAOYSA-N Google Search
Mol Weight	408.26 g/mol
Molecular Formula	C16H13IN2OS
Exact Mass	407.979329 g/mol

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SpectraBase Spectrum ID	xMh9AOZYm7
Name	N-(3-Cyano-4,5,6,7-tetrahydro-benzo[B]thiophen-2-yl)-4-iodo-benzamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	407.979329220 u
Formula	C16H13IN2OS
InChI	InChI=1S/C16H13IN2OS/c17-11-7-5-10(6-8-11)15(20)19-16-13(9-18)12-3-1-2-4-14(12)21-16/h5-8H,1-4H2,(H,19,20)
InChIKey	STDGXSZYCSXQFE-UHFFFAOYSA-N
Molecular Weight	408.257 g/mol
SMILES	C=12C(=C(NC(=O)C3=CC=C(I)C=C3)SC1CCCC2)C#N