6-methyl-4-(4-nitrophenyl)-N-[(E)-(phenylmethylidene)amino]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 6-methyl-4-(4-nitrophenyl)-N-[(E)-(phenylmethylidene)amino]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-[(E)-benzylideneamino]-6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 6-methyl-4-(4-nitrophenyl)-N-[(E)-(phenylmethylene)amino]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-[(E)-benzylideneamino]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-[(E)-benzalamino]-6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NN=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O3S/c1-12-16(18(25)23-20-11-13-5-3-2-4-6-13)17(22-19(28)21-12)14-7-9-15(10-8-14)24(26)27/h2-11,17H,1H3,(H,23,25)(H2,21,22,28)/b20-11+