N-(cyclopentylcarbamoyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide Traditional Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(cyclopentylcarbamoyl)acetamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H24N6O2S/c29-19(25-21(30)24-18-10-4-5-11-18)15-31-22-27-26-20(17-9-6-12-23-13-17)28(22)14-16-7-2-1-3-8-16/h1-3,6-9,12-13,18H,4-5,10-11,14-15H2,(H2,24,25,29,30)