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

Systemtic Name: 2-bromanyl-N-[[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[[5-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C23H24BrN5O2S MolecularWeight: 514.43796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H24BrN5O2S/c1-3-13-29-20(14-25-22(31)18-7-5-6-8-19(18)24)27-28-23(29)32-15-21(30)26-17-11-9-16(4-2)10-12-17/h3,5-12H,1,4,13-15H2,2H3,(H,25,31)(H,26,30)