N-[4-(cyanomethylsulfanyl)phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-(cyanomethylsulfanyl)phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-(cyanomethylsulfanyl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-(cyanomethylthio)phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-(cyanomethylsulfanyl)phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-(cyanomethylthio)phenyl]-3,4-dimethoxy-benzamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SCC#N)OC

InChI

InChI=1S/C17H16N2O3S/c1-21-15-8-3-12(11-16(15)22-2)17(20)19-13-4-6-14(7-5-13)23-10-9-18/h3-8,11H,10H2,1-2H3,(H,19,20)