1-[(Z)-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(Z)-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(Z)-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(Z)-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(Z)-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(Z)-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C18H16N6O3S MolecularWeight: 396.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=NNC(=S)N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=N\NC(=S)N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O3S/c1-27-16-8-7-12(9-15(16)24(25)26)17-13(10-20-21-18(19)28)11-23(22-17)14-5-3-2-4-6-14/h2-11H,1H3,(H3,19,21,28)/b20-10-