1-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-3-13-22-21(28)24-23-14-17-15-26(18-7-5-4-6-8-18)25-20(17)16-9-11-19(27-2)12-10-16/h3-12,14-15H,1,13H2,2H3,(H2,22,24,28)/b23-14+