N-[(4-methylphenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylbenzyl)acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H21N5OS/c1-3-12-25-19(17-8-10-21-11-9-17)23-24-20(25)27-14-18(26)22-13-16-6-4-15(2)5-7-16/h3-11H,1,12-14H2,2H3,(H,22,26)