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

Systemtic Name: 1,5-dimethyl-4-[[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methyleneamino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]phenyl]methylideneamino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]methylideneamino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[[3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)thio]benzylidene]amino]-2-phenyl-3-pyrazolin-3-one Formula: C25H18N6O5S2 MolecularWeight: 546.57762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=C(C=C3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H18N6O5S2/c1-15-23(24(32)29(28(15)2)17-6-4-3-5-7-17)26-14-16-8-11-21(20(12-16)31(35)36)37-25-27-19-10-9-18(30(33)34)13-22(19)38-25/h3-14H,1-2H3