2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C20H26N6O3S MolecularWeight: 430.52384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N6O3S/c1-13-7-9-24(10-8-13)19-22-23-20(25(19)15-5-6-15)30-12-18(27)21-17-11-16(26(28)29)4-3-14(17)2/h3-4,11,13,15H,5-10,12H2,1-2H3,(H,21,27)