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

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperazino)ethanone Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3S/c1-3-8-23-17(14-4-6-15(7-5-14)24(26)27)19-20-18(23)28-13-16(25)22-11-9-21(2)10-12-22/h3-7H,1,8-13H2,2H3