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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(4-nitrophenyl)thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-14-19(15(2)24(22-14)17-7-5-4-6-8-17)13-23(3)20(28)21-16-9-11-18(12-10-16)25(26)27/h4-12H,13H2,1-3H3,(H,21,28)