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

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5OS2/c1-23(11-13-3-5-15(25-2)6-4-13)16(24)12-26-18-20-17(21-22-18)14-7-9-19-10-8-14/h3-10H,11-12H2,1-2H3,(H,20,21,22)