N-[[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[5-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[5-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-[[2-(3-bromoanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[5-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C21H22BrN5O4S MolecularWeight: 520.39948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CNC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CNC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22BrN5O4S/c1-27-18(11-23-20(29)13-7-8-16(30-2)17(9-13)31-3)25-26-21(27)32-12-19(28)24-15-6-4-5-14(22)10-15/h4-10H,11-12H2,1-3H3,(H,23,29)(H,24,28)