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

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: N-[oxo(propylamino)methyl]-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H22N6O2S/c1-2-10-22-19(28)23-17(27)14-29-20-25-24-18(16-8-11-21-12-9-16)26(20)13-15-6-4-3-5-7-15/h3-9,11-12H,2,10,13-14H2,1H3,(H2,22,23,27,28)