1-(3-chloranyl-4-methoxy-phenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-(3-chloro-4-methoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O2S/c1-12-17(18(25)24(23(12)2)14-7-5-4-6-8-14)22-19(27)21-13-9-10-16(26-3)15(20)11-13/h4-11H,1-3H3,(H2,21,22,27)