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

Systemtic Name: N-methyl-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-benzyl-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-methyl-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-benzyl-N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-N-methyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5OS/c1-22(11-13-5-3-2-4-6-13)15(23)12-24-17-19-16(20-21-17)14-7-9-18-10-8-14/h2-10H,11-12H2,1H3,(H,19,20,21)