[1-cyano-4-(3-nitrophenyl)-4-oxidanylidene-2-phenyl-butyl] N,N-dimethylcarbamodithioate

Systemtic Name: [1-cyano-4-(3-nitrophenyl)-4-oxidanylidene-2-phenyl-butyl] N,N-dimethylcarbamodithioate Openeye Name: [1-cyano-4-(3-nitrophenyl)-4-oxo-2-phenyl-butyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [1-cyano-4-(3-nitrophenyl)-4-oxo-2-phenylbutyl] ester IUPAC Name: [1-cyano-4-(3-nitrophenyl)-4-oxo-2-phenylbutyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [1-cyano-4-keto-4-(3-nitrophenyl)-2-phenyl-butyl] ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SC(C#N)C(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(C)C(=S)SC(C#N)C(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C20H19N3O3S2/c1-22(2)20(27)28-19(13-21)17(14-7-4-3-5-8-14)12-18(24)15-9-6-10-16(11-15)23(25)26/h3-11,17,19H,12H2,1-2H3