6-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]uracil Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NNC2=S)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NNC2=S)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C14H13N5O2S/c1-8-3-2-4-10(5-8)19-11(17-18-14(19)22)6-9-7-12(20)16-13(21)15-9/h2-5,7H,6H2,1H3,(H,18,22)(H2,15,16,20,21)