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

Systemtic Name: N-(4-bromophenyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[5-(4-propan-2-ylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)acetamide Formula: C22H23BrN4OS MolecularWeight: 471.41322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4OS/c1-4-13-27-21(17-7-5-16(6-8-17)15(2)3)25-26-22(27)29-14-20(28)24-19-11-9-18(23)10-12-19/h4-12,15H,1,13-14H2,2-3H3,(H,24,28)