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

Systemtic Name: 2-bromanyl-N-[[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[[5-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C22H21BrClN5O2S MolecularWeight: 534.85644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H21BrClN5O2S/c1-3-11-29-19(12-25-21(31)15-7-4-5-8-16(15)23)27-28-22(29)32-13-20(30)26-18-10-6-9-17(24)14(18)2/h3-10H,1,11-13H2,2H3,(H,25,31)(H,26,30)