5-(4-chlorophenyl)-4-(4-ethylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chlorophenyl)-4-(4-ethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chlorophenyl)-4-(4-ethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chlorophenyl)-4-(4-ethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chlorophenyl)-4-(4-ethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chlorophenyl)-4-(4-ethylphenyl)-1,2,4-triazole-3-thiolate Formula: C16H13ClN3S- MolecularWeight: 314.81252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3S/c1-2-11-3-9-14(10-4-11)20-15(18-19-16(20)21)12-5-7-13(17)8-6-12/h3-10H,2H2,1H3,(H,19,21)/p-1