4-(2-ethylphenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-ethylphenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(benzylsulfanylmethyl)-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-ethylphenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(benzylsulfanylmethyl)-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(benzylthio)methyl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate Formula: C18H18N3S2- MolecularWeight: 340.48562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2[S-])CSCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2[S-])CSCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3S2/c1-2-15-10-6-7-11-16(15)21-17(19-20-18(21)22)13-23-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,22)/p-1