3-cyclopropyl-4-(4-methylsulfanylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-cyclopropyl-4-(4-methylsulfanylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-cyclopropyl-4-(4-methylsulfanylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-cyclopropyl-4-[4-(methylthio)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-cyclopropyl-4-(4-methylsulfanylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-cyclopropyl-4-[4-(methylthio)phenyl]-1H-1,2,4-triazole-5-thione Formula: C12H13N3S2 MolecularWeight: 263.38172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C(=NNC2=S)C3CC3

Isomeric SMILES

CSC1=CC=C(C=C1)N2C(=NNC2=S)C3CC3

InChI

InChI=1S/C12H13N3S2/c1-17-10-6-4-9(5-7-10)15-11(8-2-3-8)13-14-12(15)16/h4-8H,2-3H2,1H3,(H,14,16)