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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-p-anisyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O2S/c1-12(17(24)20-11-13-3-5-15(25-2)6-4-13)26-18-21-16(22-23-18)14-7-9-19-10-8-14/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,22,23)