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

Systemtic Name: N-(2-bromanyl-4,5-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-(2-bromo-4,5-dimethyl-phenyl)acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-bromo-4,5-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-(2-bromo-4,5-dimethyl-phenyl)acetamide Formula: C20H20BrN5OS MolecularWeight: 458.3747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H20BrN5OS/c1-4-9-26-19(15-5-7-22-8-6-15)24-25-20(26)28-12-18(27)23-17-11-14(3)13(2)10-16(17)21/h4-8,10-11H,1,9,12H2,2-3H3,(H,23,27)