6-methyl-4-(3-nitrophenyl)-3-(2-phenylethanoyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(3-nitrophenyl)-3-(2-phenylethanoyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-3-(2-phenylacetyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(3-nitrophenyl)-3-(1-oxo-2-phenylethyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(3-nitrophenyl)-3-(2-phenylacetyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-(2-phenylacetyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H17N3O5S/c1-12-17(19(25)26)18(14-8-5-9-15(11-14)23(27)28)22(20(29)21-12)16(24)10-13-6-3-2-4-7-13/h2-9,11,18H,10H2,1H3,(H,21,29)(H,25,26)