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

Systemtic Name: N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-methyl-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-benzyl-N-methyl-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C19H21N5OS/c1-14(18(25)23(2)13-15-7-5-4-6-8-15)26-19-22-21-17(24(19)3)16-9-11-20-12-10-16/h4-12,14H,13H2,1-3H3