1-(2-chloranyl-5-nitro-phenyl)-3-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]thiourea Formula: C15H15ClN4O3S MolecularWeight: 366.8226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C15H15ClN4O3S/c1-8-5-9(2)18-14(21)11(8)7-17-15(24)19-13-6-10(20(22)23)3-4-12(13)16/h3-6H,7H2,1-2H3,(H,18,21)(H2,17,19,24)