N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-cyano-benzamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-cyano-benzamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-cyano-benzamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-cyanobenzamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-cyano-benzamide Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)C#N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)C#N)SCC(=O)N

InChI

InChI=1S/C16H13N3O2S/c17-9-11-5-7-12(8-6-11)16(21)19-13-3-1-2-4-14(13)22-10-15(18)20/h1-8H,10H2,(H2,18,20)(H,19,21)