methyl (2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-[(4-bromophenyl)hydrazinylidene]ethanoate

Systemtic Name: methyl (2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-[(4-bromophenyl)hydrazinylidene]ethanoate Openeye Name: methyl (2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-[(4-bromophenyl)hydrazono]acetate CAS Name: (2E)-2-(1,3-benzothiazol-2-ylthio)-2-[(4-bromophenyl)hydrazinylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-[(4-bromophenyl)hydrazinylidene]acetate Traditional Name: (2E)-2-(1,3-benzothiazol-2-ylthio)-2-[(4-bromophenyl)hydrazono]acetic acid methyl ester Formula: C16H12BrN3O2S2 MolecularWeight: 422.31938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NNC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)/C(=N\NC1=CC=C(C=C1)Br)/SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H12BrN3O2S2/c1-22-15(21)14(20-19-11-8-6-10(17)7-9-11)24-16-18-12-4-2-3-5-13(12)23-16/h2-9,19H,1H3/b20-14+