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

Systemtic Name: N-[2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromanyl-benzamide Openeye Name: N-[2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromo-benzamide CAS Name: N-[2-[5-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromobenzamide IUPAC Name: N-[2-[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromobenzamide Traditional Name: N-[2-[5-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-bromo-benzamide Formula: C21H19BrN6O2S2 MolecularWeight: 531.44856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CCNC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)CCNC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN6O2S2/c1-28-17(10-11-23-19(30)13-6-8-14(22)9-7-13)26-27-21(28)31-12-18(29)25-20-24-15-4-2-3-5-16(15)32-20/h2-9H,10-12H2,1H3,(H,23,30)(H,24,25,29)