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

Systemtic Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C20H19BrN4OS MolecularWeight: 443.36006

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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=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Br

InChI

InChI=1S/C20H19BrN4OS/c1-3-12-25-19(16-6-4-5-7-17(16)21)23-24-20(25)27-13-18(26)22-15-10-8-14(2)9-11-15/h3-11H,1,12-13H2,2H3,(H,22,26)