4-(4-methoxyphenyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-methoxyphenyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-methoxyphenyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methoxyphenyl)-3-[(2-pyrimidinylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methoxyphenyl)-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-methoxyphenyl)-3-[(2-pyrimidylthio)methyl]-1H-1,2,4-triazole-5-thione Formula: C14H13N5OS2 MolecularWeight: 331.41592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NC=CC=N3

InChI

InChI=1S/C14H13N5OS2/c1-20-11-5-3-10(4-6-11)19-12(17-18-14(19)21)9-22-13-15-7-2-8-16-13/h2-8H,9H2,1H3,(H,18,21)