N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H20BrN5O2S MolecularWeight: 474.3741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)C(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

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