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

Systemtic Name: 1-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)N)C3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5OS/c1-2-12-26-18-10-8-15(9-11-18)19-16(13-22-23-20(21)27)14-25(24-19)17-6-4-3-5-7-17/h3-11,13-14H,2,12H2,1H3,(H3,21,23,27)/b22-13+