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

Systemtic Name: 6-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-phenyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-phenyl-5-(propargylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

C#CCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C16H13N5O2S/c1-2-8-24-16-20-19-13(21(16)12-6-4-3-5-7-12)9-11-10-14(22)18-15(23)17-11/h1,3-7,10H,8-9H2,(H2,17,18,22,23)