1-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzylidene]amino]-3-phenyl-thiourea Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=S)NC3=CC=CC=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=N/NC(=S)NC3=CC=CC=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3S/c1-14-20(27(28)29)15(2)26(25-14)13-17-11-16(9-10-19(17)30-3)12-22-24-21(31)23-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H2,23,24,31)/b22-12+