(4-chlorophenyl)-[3-phenyl-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-chlorophenyl)-[3-phenyl-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]methanone Openeye Name: (4-chlorophenyl)-[3-phenyl-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]methanone CAS Name: (4-chlorophenyl)-[5-(mercaptomethyl)-3-phenyl-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-chlorophenyl)-[3-phenyl-5-(sulfanylmethyl)-1,2,4-triazol-1-yl]methanone Traditional Name: (4-chlorophenyl)-[5-(mercaptomethyl)-3-phenyl-1,2,4-triazol-1-yl]methanone Formula: C16H12ClN3OS MolecularWeight: 329.80398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)CS)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)CS)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3OS/c17-13-8-6-12(7-9-13)16(21)20-14(10-22)18-15(19-20)11-4-2-1-3-5-11/h1-9,22H,10H2