N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]pyrazolidine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-2-(3,5-dimethylisoxazole-4-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-2-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-2-(3,5-dimethylisoxazole-4-carbonyl)pyrazolidine-1-carbothioamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)N2CCCN2C(=S)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)N2CCCN2C(=S)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H17N5O2S/c1-11-15(12(2)24-20-11)16(23)21-7-4-8-22(21)17(25)19-14-6-3-5-13(9-14)10-18/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,25)