N-(3-methyl-1-phenyl-pyrazolo[3,4-d][1,3]thiazol-5-yl)-3-nitro-benzamide

Systemtic Name: N-(3-methyl-1-phenyl-pyrazolo[3,4-d][1,3]thiazol-5-yl)-3-nitro-benzamide Openeye Name: N-(3-methyl-1-phenyl-pyrazolo[3,4-d]thiazol-5-yl)-3-nitro-benzamide CAS Name: N-(3-methyl-1-phenyl-5-pyrazolo[3,4-d]thiazolyl)-3-nitrobenzamide IUPAC Name: N-(3-methyl-1-phenylpyrazolo[3,4-d][1,3]thiazol-5-yl)-3-nitrobenzamide Traditional Name: N-(3-methyl-1-phenyl-pyrazolo[3,4-d]thiazol-5-yl)-3-nitro-benzamide Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1SC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1SC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H13N5O3S/c1-11-15-16(22(21-11)13-7-3-2-4-8-13)19-18(27-15)20-17(24)12-6-5-9-14(10-12)23(25)26/h2-10H,1H3,(H,19,20,24)