3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-1-[2-(2-pyridyl)ethyl]thiourea CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methyl-1-[2-(2-pyridinyl)ethyl]thiourea IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methyl-1-(2-pyridin-2-ylethyl)thiourea Traditional Name: 3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-1-[2-(2-pyridyl)ethyl]thiourea Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(C)CCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(C)CCC3=CC=CC=N3

InChI

InChI=1S/C20H23N5OS/c1-15-18(19(26)25(24(15)3)17-10-5-4-6-11-17)22-20(27)23(2)14-12-16-9-7-8-13-21-16/h4-11,13H,12,14H2,1-3H3,(H,22,27)