N-(2-nitrophenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-nitrophenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-nitrophenyl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-nitrophenyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-nitrophenyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-nitrophenyl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H24N6O3S MolecularWeight: 452.52936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C22H24N6O3S/c1-16(20(29)23-18-12-6-7-13-19(18)28(30)31)32-22-25-24-21(26-14-8-3-9-15-26)27(22)17-10-4-2-5-11-17/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3,(H,23,29)