1-[(Z)-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(Z)-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(Z)-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[(Z)-[3-(2,5-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(Z)-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(Z)-[3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NN(C=C2C=NNC(=S)NCC=C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-4-12-23-22(30)25-24-14-16-15-27(17-8-6-5-7-9-17)26-21(16)19-13-18(28-2)10-11-20(19)29-3/h4-11,13-15H,1,12H2,2-3H3,(H2,23,25,30)/b24-14-