N-[4-(5-azanyl-2-cyano-6-isocyano-3-phenylsulfanyl-phenyl)phenyl]ethanamide

Systemtic Name: N-[4-(5-azanyl-2-cyano-6-isocyano-3-phenylsulfanyl-phenyl)phenyl]ethanamide Openeye Name: N-[4-(5-amino-2-cyano-6-isocyano-3-phenylsulfanyl-phenyl)phenyl]acetamide CAS Name: N-[4-[5-amino-2-cyano-6-isocyano-3-(phenylthio)phenyl]phenyl]acetamide IUPAC Name: N-[4-(5-amino-2-cyano-6-isocyano-3-phenylsulfanylphenyl)phenyl]acetamide Traditional Name: N-[4-[5-amino-2-cyano-6-isocyano-3-(phenylthio)phenyl]phenyl]acetamide Formula: C22H16N4OS MolecularWeight: 384.45364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=C(C(=CC(=C2C#N)SC3=CC=CC=C3)N)[N+]#[C-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C(C(=CC(=C2C#N)SC3=CC=CC=C3)N)[N+]#[C-]

InChI

InChI=1S/C22H16N4OS/c1-14(27)26-16-10-8-15(9-11-16)21-18(13-23)20(12-19(24)22(21)25-2)28-17-6-4-3-5-7-17/h3-12H,24H2,1H3,(H,26,27)