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

Systemtic Name: 6-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]uracil Formula: C13H10ClN5O2S MolecularWeight: 335.7688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NNC2=S)CC3=CC(=O)NC(=O)N3)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=NNC2=S)CC3=CC(=O)NC(=O)N3)Cl

InChI

InChI=1S/C13H10ClN5O2S/c14-7-1-3-9(4-2-7)19-10(17-18-13(19)22)5-8-6-11(20)16-12(21)15-8/h1-4,6H,5H2,(H,18,22)(H2,15,16,20,21)