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

Systemtic Name: 2-bromanyl-N-[[5-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(2-naphthylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[[5-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(2-naphthylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C25H22BrN5O2S MolecularWeight: 536.44348

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)CNC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)CNC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C25H22BrN5O2S/c1-2-13-31-22(15-27-24(33)20-9-5-6-10-21(20)26)29-30-25(31)34-16-23(32)28-19-12-11-17-7-3-4-8-18(17)14-19/h2-12,14H,1,13,15-16H2,(H,27,33)(H,28,32)