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

Systemtic Name: [3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]pyrazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]pyrazol-1-yl]-(4-pyridyl)methanone CAS Name: [3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]-1-pyrazolyl]-pyridin-4-ylmethanone IUPAC Name: [3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]pyrazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [3,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)azo]pyrazol-1-yl]-(4-pyridyl)methanone Formula: C18H13N7O3S MolecularWeight: 407.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N7O3S/c1-10-16(11(2)24(23-10)17(26)12-5-7-19-8-6-12)21-22-18-20-14-4-3-13(25(27)28)9-15(14)29-18/h3-9H,1-2H3