1-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-benzylidene]amino]thiourea Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3S/c1-5-8-19-18(28)21-20-10-14-6-7-16(27-4)15(9-14)11-23-13(3)17(24(25)26)12(2)22-23/h5-7,9-10H,1,8,11H2,2-4H3,(H2,19,21,28)/b20-10+