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

Systemtic Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-phenyl-3-pyrazolin-3-one Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c1-11-16(17(24)22(21(11)2)12-6-4-3-5-7-12)20-18-19-14-9-8-13(23(25)26)10-15(14)27-18/h3-10H,1-2H3,(H,19,20)