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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)Cl)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3OS/c1-12-19-20-17(21(12)15-9-7-14(18)8-10-15)23-11-16(22)13-5-3-2-4-6-13/h2-10H,11H2,1H3