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

Systemtic Name: N-(2-cyanophenyl)-3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-cyanophenyl)-3-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyanophenyl)-3-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyanophenyl)-3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-cyanophenyl)-3-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H26N6OS MolecularWeight: 446.56784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C24H26N6OS/c25-17-19-9-5-6-12-21(19)26-23(31)13-16-32-24-28-27-22(18-29-14-7-2-8-15-29)30(24)20-10-3-1-4-11-20/h1,3-6,9-12H,2,7-8,13-16,18H2,(H,26,31)