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

Systemtic Name: N-(3-methylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(m-tolyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-methylphenyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-methylphenyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(m-tolyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H29N5OS MolecularWeight: 435.58496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C24H29N5OS/c1-18-10-9-11-20(16-18)25-23(30)19(2)31-24-27-26-22(17-28-14-7-4-8-15-28)29(24)21-12-5-3-6-13-21/h3,5-6,9-13,16,19H,4,7-8,14-15,17H2,1-2H3,(H,25,30)