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

Systemtic Name: 1-[(E)-[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-(4-ethoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=NNC(=S)NCC=C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=N/NC(=S)NCC=C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3S/c1-3-12-23-22(32)25-24-14-17-15-27(18-8-6-5-7-9-18)26-21(17)16-10-11-20(31-4-2)19(13-16)28(29)30/h3,5-11,13-15H,1,4,12H2,2H3,(H2,23,25,32)/b24-14+