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

Systemtic Name: 1-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C19H19N5O2S MolecularWeight: 381.45146

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)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=N/NC(=S)N)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H19N5O2S/c1-25-16-9-8-13(10-17(16)26-2)18-14(11-21-22-19(20)27)12-24(23-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H3,20,22,27)/b21-11+