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

Systemtic Name: 1-ethyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-ethyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-ethyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-ethyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-ethyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-3-14-28-20-12-10-17(11-13-20)21-18(15-24-25-22(29)23-4-2)16-27(26-21)19-8-6-5-7-9-19/h5-13,15-16H,3-4,14H2,1-2H3,(H2,23,25,29)/b24-15+