1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(2-methoxyphenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-(2-methoxyphenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-(2-methoxyphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(2-methoxyphenyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(2-methoxyphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-(2-methoxyphenyl)thiourea Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C22H23N5O2S/c1-16-20(21(28)27(25(16)2)17-10-5-4-6-11-17)24-22(30)26(15-9-14-23)18-12-7-8-13-19(18)29-3/h4-8,10-13H,9,15H2,1-3H3,(H,24,30)