4-(4-chlorophenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-chlorophenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-chlorophenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-chlorophenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-chlorophenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-chlorophenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate Formula: C16H13ClN3OS- MolecularWeight: 330.81192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=NN=C(N2C3=CC=C(C=C3)Cl)[S-])O

Isomeric SMILES

C1=CC(=CC=C1CCC2=NN=C(N2C3=CC=C(C=C3)Cl)[S-])O

InChI

InChI=1S/C16H14ClN3OS/c17-12-4-6-13(7-5-12)20-15(18-19-16(20)22)10-3-11-1-8-14(21)9-2-11/h1-2,4-9,21H,3,10H2,(H,19,22)/p-1