[2-[(4-methylphenyl)diazenyl]-1,3-benzothiazol-6-yl] 3-oxidanylidenebut-1-ene-2-sulfinate

Systemtic Name: [2-[(4-methylphenyl)diazenyl]-1,3-benzothiazol-6-yl] 3-oxidanylidenebut-1-ene-2-sulfinate Openeye Name: [2-(p-tolylazo)-1,3-benzothiazol-6-yl] 3-oxobut-1-ene-2-sulfinate CAS Name: 3-oxo-1-butene-2-sulfinic acid [2-(4-methylphenyl)azo-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[(4-methylphenyl)diazenyl]-1,3-benzothiazol-6-yl] 3-oxobut-1-ene-2-sulfinate Traditional Name: 3-ketobut-1-ene-2-sulfinic acid [2-(p-tolylazo)-1,3-benzothiazol-6-yl] ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OS(=O)C(=C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OS(=O)C(=C)C(=O)C

InChI

InChI=1S/C18H15N3O3S2/c1-11-4-6-14(7-5-11)20-21-18-19-16-9-8-15(10-17(16)25-18)24-26(23)13(3)12(2)22/h4-10H,3H2,1-2H3