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

Systemtic Name: N-(phenylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-benzyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(phenylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-benzyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C19H21N5OS/c1-2-12-24-18(16-8-10-20-11-9-16)22-23-19(24)26-14-17(25)21-13-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,25)