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

Systemtic Name: 6-[[4-(3-methylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(m-tolyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(3-methylphenyl)-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(3-methylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(m-tolyl)-5-(propargylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2S/c1-3-7-25-17-21-20-14(9-12-10-15(23)19-16(24)18-12)22(17)13-6-4-5-11(2)8-13/h1,4-6,8,10H,7,9H2,2H3,(H2,18,19,23,24)