(6S)-N,N,4-trimethyl-3-(3-methylphenyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: (6S)-N,N,4-trimethyl-3-(3-methylphenyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: (6S)-N,N,4-trimethyl-3-(m-tolyl)-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: (6S)-N,N,4-trimethyl-3-(3-methylphenyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: (6S)-N,N,4-trimethyl-3-(3-methylphenyl)-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: (6S)-N,N,4-trimethyl-3-(m-tolyl)-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C([C@@H](NC2=S)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C)C)C

InChI

InChI=1S/C21H22N4O3S/c1-13-7-5-9-16(11-13)24-14(2)18(20(26)23(3)4)19(22-21(24)29)15-8-6-10-17(12-15)25(27)28/h5-12,19H,1-4H3,(H,22,29)/t19-/m0/s1