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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-p-anisyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SC(C)C(=O)NCC2=CC=C(C=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O2S/c1-4-13-26-19(17-9-11-22-12-10-17)24-25-21(26)29-15(2)20(27)23-14-16-5-7-18(28-3)8-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,27)