4-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-phenyl]methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-phenyl]methylideneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-phenyl]methyleneamino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-3-nitrophenyl]methylideneamino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-3-nitro-benzylidene]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H23N5O4S2 MolecularWeight: 545.63262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC3=C(C=C(C=C3)C=NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC3=C(C=C(C=C3)C=NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H23N5O4S2/c1-4-36-20-11-12-21-24(15-20)38-27(29-21)37-23-13-10-18(14-22(23)32(34)35)16-28-25-17(2)30(3)31(26(25)33)19-8-6-5-7-9-19/h5-16H,4H2,1-3H3