1-(3-ethoxypropyl)-3-[(Z)-[3-(furan-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-(3-ethoxypropyl)-3-[(Z)-[3-(furan-2-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-(3-ethoxypropyl)-3-[(Z)-[3-(2-furyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-(3-ethoxypropyl)-3-[(Z)-[3-(2-furanyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-(3-ethoxypropyl)-3-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-(3-ethoxypropyl)-3-[(Z)-[3-(2-furyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NN=CC1=CN(N=C1C2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

CCOCCCNC(=S)N/N=C\C1=CN(N=C1C2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2S/c1-2-26-12-7-11-21-20(28)23-22-14-16-15-25(17-8-4-3-5-9-17)24-19(16)18-10-6-13-27-18/h3-6,8-10,13-15H,2,7,11-12H2,1H3,(H2,21,23,28)/b22-14-