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

Systemtic Name: 6-[[4-(4-chlorophenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[[4-(4-chlorophenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(4-chlorophenyl)-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[[4-(4-chlorophenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[4-(4-chlorophenyl)-5-(propargylthio)-1,2,4-triazol-3-yl]methyl]uracil Formula: C16H12ClN5O2S MolecularWeight: 373.81678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O2S/c1-2-7-25-16-21-20-13(8-11-9-14(23)19-15(24)18-11)22(16)12-5-3-10(17)4-6-12/h1,3-6,9H,7-8H2,(H2,18,19,23,24)