6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]uracil Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=O)NC(=O)N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC3=CC(=O)NC(=O)N3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N5O2S/c1-13-8-9-17(10-14(13)2)26-19(15-6-4-3-5-7-15)24-25-21(26)29-12-16-11-18(27)23-20(28)22-16/h3-11H,12H2,1-2H3,(H2,22,23,27,28)