4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-methyl-5-[(phenylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-methyl-5-[(phenylthio)methyl]-1,2,4-triazole-3-thiolate Formula: C10H10N3S2- MolecularWeight: 236.3365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1[S-])CSC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1[S-])CSC2=CC=CC=C2

InChI

InChI=1S/C10H11N3S2/c1-13-9(11-12-10(13)14)7-15-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)/p-1