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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2[S-])CSCC3=CC=CC=C3

InChI

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