1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C14H15ClN6O3S MolecularWeight: 382.8253

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=NC=NN3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CSC3=NC=NN3

InChI

InChI=1S/C14H15ClN6O3S/c15-10-1-2-11(12(7-10)21(23)24)19-3-5-20(6-4-19)13(22)8-25-14-16-9-17-18-14/h1-2,7,9H,3-6,8H2,(H,16,17,18)