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

Systemtic Name: 2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[(5-isobutyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(5-isobutyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C15H18N4O3S MolecularWeight: 334.39342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-10(2)8-14-16-17-15(18(14)3)23-9-13(20)11-4-6-12(7-5-11)19(21)22/h4-7,10H,8-9H2,1-3H3