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

Systemtic Name: 1-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[3-methyl-4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[3-methyl-4-(3-nitrobenzoyl)piperazin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[3-methyl-4-(3-nitrobenzoyl)piperazino]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H24N6O4S2 MolecularWeight: 548.63656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H24N6O4S2/c1-18-16-29(12-13-30(18)25(34)19-7-5-10-21(15-19)32(35)36)23(33)17-38-26-28-27-24(22-11-6-14-37-22)31(26)20-8-3-2-4-9-20/h2-11,14-15,18H,12-13,16-17H2,1H3