1-[4-azanyl-3,5-bis(chloranyl)phenyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[4-azanyl-3,5-bis(chloranyl)phenyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(4-amino-3,5-dichloro-phenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(4-amino-3,5-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(4-amino-3,5-dichloro-phenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C18H17Cl2N5OS MolecularWeight: 422.33148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC(=C(C(=C3)Cl)N)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC(=C(C(=C3)Cl)N)Cl

InChI

InChI=1S/C18H17Cl2N5OS/c1-10-16(17(26)25(24(10)2)12-6-4-3-5-7-12)23-18(27)22-11-8-13(19)15(21)14(20)9-11/h3-9H,21H2,1-2H3,(H2,22,23,27)