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

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S2/c1-12-3-4-14(9-13(12)2)26(23,24)21-7-5-20(6-8-21)15(22)10-25-16-17-11-18-19-16/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,18,19)