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

Systemtic Name: N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS/c1-4-9-25-19(16-5-7-21-8-6-16)23-24-20(25)27-13-18(26)22-17-11-14(2)10-15(3)12-17/h4-8,10-12H,1,9,13H2,2-3H3,(H,22,26)