N-(4-iodanyl-2,6-dimethyl-phenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-iodanyl-2,6-dimethyl-phenyl)-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-(4-iodo-2,6-dimethyl-phenyl)acetamide CAS Name: N-(4-iodo-2,6-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-iodo-2,6-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-(4-iodo-2,6-dimethyl-phenyl)acetamide Formula: C20H20IN5OS MolecularWeight: 505.37517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C)I

InChI

InChI=1S/C20H20IN5OS/c1-4-9-26-19(15-5-7-22-8-6-15)24-25-20(26)28-12-17(27)23-18-13(2)10-16(21)11-14(18)3/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,27)