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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-ethylphenyl)acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN4OS/c1-3-12-26-20(16-6-5-7-17(22)13-16)24-25-21(26)28-14-19(27)23-18-10-8-15(4-2)9-11-18/h3,5-11,13H,1,4,12,14H2,2H3,(H,23,27)