N-(4,6-dinitro-1,3-benzothiazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-imine

Systemtic Name: N-(4,6-dinitro-1,3-benzothiazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-imine Openeye Name: N-(4,6-dinitro-1,3-benzothiazol-2-yl)-5-methyl-2-(p-tolyl)-4H-pyrazol-3-imine CAS Name: N-(4,6-dinitro-1,3-benzothiazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-imine IUPAC Name: N-(4,6-dinitro-1,3-benzothiazol-2-yl)-5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-imine Traditional Name: (E)-(4,6-dinitro-1,3-benzothiazol-2-yl)-[5-methyl-2-(p-tolyl)-2-pyrazolin-3-ylidene]amine Formula: C18H14N6O4S MolecularWeight: 410.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])[N+](=O)[O-])C1)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=NN(/C(=N/C2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])[N+](=O)[O-])/C1)C4=CC=C(C=C4)C

InChI

InChI=1S/C18H14N6O4S/c1-10-3-5-12(6-4-10)22-16(7-11(2)21-22)19-18-20-17-14(24(27)28)8-13(23(25)26)9-15(17)29-18/h3-6,8-9H,7H2,1-2H3/b19-16+