2-[5-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[5-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[5-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C20H20BrN5O2S MolecularWeight: 474.3741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C20H20BrN5O2S/c1-13-10-15(8-9-16(13)21)23-19(28)12-29-20-25-24-17(26(20)2)11-18(27)22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,22,27)(H,23,28)