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

Systemtic Name: N-(3-phenylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-phenylpropyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-phenylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-phenylpropyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-phenylpropyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5OS/c24-16(20-10-4-7-14-5-2-1-3-6-14)13-25-18-21-17(22-23-18)15-8-11-19-12-9-15/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,20,24)(H,21,22,23)