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

Systemtic Name: 1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-propylphenyl)sulfonylpiperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NN3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C17H23N5O3S2/c1-2-3-14-4-6-15(7-5-14)27(24,25)22-10-8-21(9-11-22)16(23)12-26-17-18-13-19-20-17/h4-7,13H,2-3,8-12H2,1H3,(H,18,19,20)