1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=NN3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=NN3)C

InChI

InChI=1S/C16H21N5OS/c1-12-4-3-5-14(13(12)2)20-6-8-21(9-7-20)15(22)10-23-16-17-11-18-19-16/h3-5,11H,6-10H2,1-2H3,(H,17,18,19)