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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C24H29N5OS/c1-19(23(30)25-17-20-11-5-2-6-12-20)31-24-27-26-22(18-28-15-9-4-10-16-28)29(24)21-13-7-3-8-14-21/h2-3,5-8,11-14,19H,4,9-10,15-18H2,1H3,(H,25,30)