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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C20H24N6O3S/c1-2-9-25-19(15-3-4-15)21-22-20(25)30-14-18(27)24-12-10-23(11-13-24)16-5-7-17(8-6-16)26(28)29/h2,5-8,15H,1,3-4,9-14H2