4-(3-chloranyl-2-methyl-phenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(3-chloranyl-2-methyl-phenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-chloro-2-methyl-phenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-chloro-2-methylphenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-chloro-2-methylphenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-chloro-2-methyl-phenyl)-5-[2-(4-hydroxyphenyl)ethyl]-1,2,4-triazole-3-thiolate Formula: C17H15ClN3OS- MolecularWeight: 344.8385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=NN=C2[S-])CCC3=CC=C(C=C3)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=NN=C2[S-])CCC3=CC=C(C=C3)O

InChI

InChI=1S/C17H16ClN3OS/c1-11-14(18)3-2-4-15(11)21-16(19-20-17(21)23)10-7-12-5-8-13(22)9-6-12/h2-6,8-9,22H,7,10H2,1H3,(H,20,23)/p-1