S-phenyl (E)-3-azanyl-2-cyano-3-phenylsulfanyl-prop-2-enethioate

Systemtic Name: S-phenyl (E)-3-azanyl-2-cyano-3-phenylsulfanyl-prop-2-enethioate Openeye Name: S-phenyl (E)-3-amino-2-cyano-3-phenylsulfanyl-prop-2-enethioate CAS Name: (E)-3-amino-2-cyano-3-(phenylthio)-2-propenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E)-3-amino-2-cyano-3-phenylsulfanylprop-2-enethioate Traditional Name: (E)-3-amino-2-cyano-3-(phenylthio)prop-2-enethioic acid S-phenyl ester Formula: C16H12N2OS2 MolecularWeight: 312.40928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=C(C#N)C(=O)SC2=CC=CC=C2)N

Isomeric SMILES

C1=CC=C(C=C1)S/C(=C(\C#N)/C(=O)SC2=CC=CC=C2)/N

InChI

InChI=1S/C16H12N2OS2/c17-11-14(15(18)20-12-7-3-1-4-8-12)16(19)21-13-9-5-2-6-10-13/h1-10H,18H2/b15-14+