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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C21H22N6O3S2 MolecularWeight: 470.56778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C21H22N6O3S2/c28-19(25-11-9-24(10-12-25)15-3-7-17(8-4-15)27(29)30)14-32-21-23-22-20(18-2-1-13-31-18)26(21)16-5-6-16/h1-4,7-8,13,16H,5-6,9-12,14H2