2-[[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate Formula: C24H19N4O4S2- MolecularWeight: 491.56206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C24H20N4O4S2/c1-2-15-3-5-17(6-4-15)26-23(30)14-33-24-27-20-9-7-18(12-22(20)34-24)25-13-16-11-19(28(31)32)8-10-21(16)29/h3-13,29H,2,14H2,1H3,(H,26,30)/p-1