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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-methylbenzyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-4-13-26-19(18-9-11-22-12-10-18)24-25-21(26)28-16(3)20(27)23-14-17-7-5-15(2)6-8-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,27)