6-[[4-(2,5-dimethylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(2,5-dimethylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(2,5-dimethylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(2,5-dimethylphenyl)-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(2,5-dimethylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(2,5-dimethylphenyl)-5-(propargylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC#C)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC#C)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C18H17N5O2S/c1-4-7-26-18-22-21-15(9-13-10-16(24)20-17(25)19-13)23(18)14-8-11(2)5-6-12(14)3/h1,5-6,8,10H,7,9H2,2-3H3,(H2,19,20,24,25)