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

Systemtic Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-pyrrolidin-1-ylethyl)pentanamide Openeye Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-pyrrolidin-1-ylethyl)pentanamide CAS Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-[2-(1-pyrrolidinyl)ethyl]pentanamide IUPAC Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-pyrrolidin-1-ylethyl)pentanamide Traditional Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-N-(2-pyrrolidinoethyl)valeramide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCNC(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

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