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

Systemtic Name: 3-[5-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C15H18BrN5O2S MolecularWeight: 412.30472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C15H18BrN5O2S/c1-9-7-10(16)3-4-11(9)18-14(23)8-24-15-20-19-13(21(15)2)6-5-12(17)22/h3-4,7H,5-6,8H2,1-2H3,(H2,17,22)(H,18,23)