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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C21H21BrN4O2S MolecularWeight: 473.38604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O2S/c1-4-10-26-20(15-6-5-7-16(12-15)28-3)24-25-21(26)29-13-19(27)23-18-9-8-14(2)11-17(18)22/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)