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

Systemtic Name: N-[[5-[2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[5-[2-(4-bromo-3-chloro-anilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[5-[[2-(4-bromo-3-chloroanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[5-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[5-[[2-(4-bromo-3-chloro-anilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C20H19BrClN5O2S MolecularWeight: 508.81916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Br)Cl

InChI

InChI=1S/C20H19BrClN5O2S/c1-12-3-5-13(6-4-12)19(29)23-10-17-25-26-20(27(17)2)30-11-18(28)24-14-7-8-15(21)16(22)9-14/h3-9H,10-11H2,1-2H3,(H,23,29)(H,24,28)