5-(dimethylamino)-4-(3-nitrophenyl)carbonyl-3-phenyl-5-sulfanyl-thiolane-2-carbonitrile

Systemtic Name: 5-(dimethylamino)-4-(3-nitrophenyl)carbonyl-3-phenyl-5-sulfanyl-thiolane-2-carbonitrile Openeye Name: 5-(dimethylamino)-4-(3-nitrobenzoyl)-3-phenyl-5-sulfanyl-tetrahydrothiophene-2-carbonitrile CAS Name: 5-(dimethylamino)-5-mercapto-4-[(3-nitrophenyl)-oxomethyl]-3-phenyl-2-thiolanecarbonitrile IUPAC Name: 5-(dimethylamino)-4-(3-nitrobenzoyl)-3-phenyl-5-sulfanylthiolane-2-carbonitrile Traditional Name: 5-(dimethylamino)-5-mercapto-4-(3-nitrobenzoyl)-3-phenyl-tetrahydrothiophene-2-carbonitrile Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(C(C(C(S1)C#N)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S

Isomeric SMILES

CN(C)C1(C(C(C(S1)C#N)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S

InChI

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