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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrN4O2S/c1-3-11-25-19(14-5-4-6-15(21)12-14)23-24-20(25)28-13-18(26)22-16-7-9-17(27-2)10-8-16/h3-10,12H,1,11,13H2,2H3,(H,22,26)