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

Systemtic Name: N-cyclopentyl-2-[[4-(phenylmethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: N-cyclopentyl-2-[[4-(phenylmethyl)-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[4-benzyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-acetamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C21H29N5OS/c27-20(22-18-10-4-5-11-18)16-28-21-24-23-19(15-25-12-6-7-13-25)26(21)14-17-8-2-1-3-9-17/h1-3,8-9,18H,4-7,10-16H2,(H,22,27)