1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N6O3S/c27-19(14-30-20-21-15-25(22-20)17-4-2-1-3-5-17)24-12-10-23(11-13-24)16-6-8-18(9-7-16)26(28)29/h1-9,15H,10-14H2