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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

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