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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 1-phenyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 1-phenyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c1-12-7-9-14(10-8-12)16-18-17(20-19-16)22-11-15(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,19,20)