1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H18N6O3S2 MolecularWeight: 430.50392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H18N6O3S2/c25-16(12-29-18-19-17(20-21-18)15-2-1-11-28-15)23-9-7-22(8-10-23)13-3-5-14(6-4-13)24(26)27/h1-6,11H,7-10,12H2,(H,19,20,21)