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

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

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C24H26N6OS/c1-18(23(31)26-20-10-8-9-19(15-20)16-25)32-24-28-27-22(17-29-13-6-3-7-14-29)30(24)21-11-4-2-5-12-21/h2,4-5,8-12,15,18H,3,6-7,13-14,17H2,1H3,(H,26,31)