3-methyl-4-[(3-nitrophenyl)diazenyl]-5-phenyl-pyrazole-1-carbothioamide

Systemtic Name: 3-methyl-4-[(3-nitrophenyl)diazenyl]-5-phenyl-pyrazole-1-carbothioamide Openeye Name: 3-methyl-4-(3-nitrophenyl)azo-5-phenyl-pyrazole-1-carbothioamide CAS Name: 3-methyl-4-(3-nitrophenyl)azo-5-phenyl-1-pyrazolecarbothioamide IUPAC Name: 3-methyl-4-[(3-nitrophenyl)diazenyl]-5-phenylpyrazole-1-carbothioamide Traditional Name: 3-methyl-4-(3-nitrophenyl)azo-5-phenyl-pyrazole-1-carbothioamide Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=S)N

Isomeric SMILES

CC1=NN(C(=C1N=NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=S)N

InChI

InChI=1S/C17H14N6O2S/c1-11-15(20-19-13-8-5-9-14(10-13)23(24)25)16(22(21-11)17(18)26)12-6-3-2-4-7-12/h2-10H,1H3,(H2,18,26)