5-ethanoyl-6-methyl-4-(3-nitrophenyl)-2-(phenylsulfanylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-4-(3-nitrophenyl)-2-(phenylsulfanylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-(phenylsulfanylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-[(phenylthio)methylthio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-(phenylsulfanylmethylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-[(phenylthio)methylthio]-1,4-dihydropyridine-3-carbonitrile Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCSC2=CC=CC=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCSC2=CC=CC=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C22H19N3O3S2/c1-14-20(15(2)26)21(16-7-6-8-17(11-16)25(27)28)19(12-23)22(24-14)30-13-29-18-9-4-3-5-10-18/h3-11,21,24H,13H2,1-2H3