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

Systemtic Name: 2-[[5-(2-methylpropyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(4-allyl-5-isobutyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[5-(2-methylpropyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[5-(2-methylpropyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(4-allyl-5-isobutyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-4-9-20-16(10-12(2)3)18-19-17(20)25-11-15(22)13-5-7-14(8-6-13)21(23)24/h4-8,12H,1,9-11H2,2-3H3