2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-[3-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]-N-(3-pyrrolidinophenyl)acetamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N5OS/c1-2-13-29-22(16-19-9-4-3-5-10-19)26-27-24(29)31-18-23(30)25-20-11-8-12-21(17-20)28-14-6-7-15-28/h3-5,8-12,17H,2,6-7,13-16,18H2,1H3,(H,25,30)