[4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]-3,5-diphenyl-pyrazol-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]-3,5-diphenyl-pyrazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(6-nitro-1,3-benzothiazol-2-yl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(6-nitro-1,3-benzothiazol-2-yl)azo]-3,5-diphenyl-1-pyrazolyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]-3,5-diphenylpyrazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[(6-nitro-1,3-benzothiazol-2-yl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone Formula: C28H17N7O3S MolecularWeight: 531.54468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C(=O)C3=CC=NC=C3)C4=CC=CC=C4)N=NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C(=O)C3=CC=NC=C3)C4=CC=CC=C4)N=NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H17N7O3S/c36-27(20-13-15-29-16-14-20)34-26(19-9-5-2-6-10-19)25(24(33-34)18-7-3-1-4-8-18)31-32-28-30-22-12-11-21(35(37)38)17-23(22)39-28/h1-17H