1-(4-chlorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C12H12ClN3OS MolecularWeight: 281.76118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3OS/c1-8-14-15-12(16(8)2)18-7-11(17)9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3