1-[(E)-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C=NNC(=S)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])/C=N/NC(=S)N

InChI

InChI=1S/C17H14N6O2S/c18-17(26)20-19-10-13-11-22(14-6-2-1-3-7-14)21-16(13)12-5-4-8-15(9-12)23(24)25/h1-11H,(H3,18,20,26)/b19-10+