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

Systemtic Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylthiourea Traditional Name: 1-(2-cyanoethyl)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-thiourea Formula: C16H19N5OS MolecularWeight: 329.41996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5OS/c1-12-14(18-16(23)19(2)11-7-10-17)15(22)21(20(12)3)13-8-5-4-6-9-13/h4-6,8-9H,7,11H2,1-3H3,(H,18,23)