S-(4-chlorophenyl) 5-methyl-2-phenyl-1,2,3-triazole-4-carbothioate

Systemtic Name: S-(4-chlorophenyl) 5-methyl-2-phenyl-1,2,3-triazole-4-carbothioate Openeye Name: S-(4-chlorophenyl) 5-methyl-2-phenyl-triazole-4-carbothioate CAS Name: 5-methyl-2-phenyl-4-triazolecarbothioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) 5-methyl-2-phenyltriazole-4-carbothioate Traditional Name: 5-methyl-2-phenyl-triazole-4-carbothioic acid S-(4-chlorophenyl) ester Formula: C16H12ClN3OS MolecularWeight: 329.80398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)SC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H12ClN3OS/c1-11-15(16(21)22-14-9-7-12(17)8-10-14)19-20(18-11)13-5-3-2-4-6-13/h2-10H,1H3