(phenylmethyl) 4-methyl-3-[(4-methylphenyl)methyl]-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-3-[(4-methylphenyl)methyl]-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 4-methyl-6-(3-nitrophenyl)-3-(p-tolylmethyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-3-[(4-methylphenyl)methyl]-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-3-[(4-methylphenyl)methyl]-6-(3-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-methyl-3-(4-methylbenzyl)-6-(3-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(NC2=S)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O4S/c1-18-11-13-20(14-12-18)16-29-19(2)24(26(31)34-17-21-7-4-3-5-8-21)25(28-27(29)35)22-9-6-10-23(15-22)30(32)33/h3-15,25H,16-17H2,1-2H3,(H,28,35)