N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-4-bromanyl-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methylideneamino]-4-bromanyl-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]methyleneamino]-4-bromo-1-methyl-pyrazole-3-carboxamide CAS Name: N-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl]methylideneamino]-4-bromo-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(E)-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-4-bromo-1-methylpyrazole-3-carboxamide Traditional Name: N-[(E)-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxy-benzylidene]amino]-4-bromo-1-methyl-pyrazole-3-carboxamide Formula: C21H18BrN5O2S2 MolecularWeight: 516.43392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CC2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N/N=C/C2=CC(=C(C=C2)OC)CSC3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C21H18BrN5O2S2/c1-27-11-15(22)19(26-27)20(28)25-23-10-13-7-8-17(29-2)14(9-13)12-30-21-24-16-5-3-4-6-18(16)31-21/h3-11H,12H2,1-2H3,(H,25,28)/b23-10+