1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(4-nitrophenyl)thiourea Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2S/c1-13-18(14(2)23(22-13)16-6-4-3-5-7-16)12-20-19(27)21-15-8-10-17(11-9-15)24(25)26/h3-11H,12H2,1-2H3,(H2,20,21,27)