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

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-isopropyl-phenyl)acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-propan-2-ylphenyl)acetamide Traditional Name: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-isopropyl-phenyl)acetamide Formula: C23H25BrN4OS MolecularWeight: 485.4398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN4OS/c1-4-12-28-21(13-17-8-6-5-7-9-17)26-27-23(28)30-15-22(29)25-20-11-10-18(24)14-19(20)16(2)3/h4-11,14,16H,1,12-13,15H2,2-3H3,(H,25,29)