1-(2-chloranyl-5-nitro-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]thiourea Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O2S/c1-12-16(13(2)24(23-12)14-6-4-3-5-7-14)11-21-19(28)22-18-10-15(25(26)27)8-9-17(18)20/h3-10H,11H2,1-2H3,(H2,21,22,28)