4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-piperidin-1-ylethyl)butanamide

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-piperidin-1-ylethyl)butanamide Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1-piperidyl)ethyl]butanamide CAS Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-[2-(1-piperidinyl)ethyl]butanamide IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-piperidin-1-ylethyl)butanamide Traditional Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(2-piperidinoethyl)butyramide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5OS/c31-23(26-16-19-29-17-8-3-9-18-29)15-10-20-32-25-28-27-24(21-11-4-1-5-12-21)30(25)22-13-6-2-7-14-22/h1-2,4-7,11-14H,3,8-10,15-20H2,(H,26,31)