N-(3-cyanophenyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-2-(2-mesylbenzoyl)pyrazolidine-1-carbothioamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=S)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H18N4O3S2/c1-28(25,26)17-9-3-2-8-16(17)18(24)22-10-5-11-23(22)19(27)21-15-7-4-6-14(12-15)13-20/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,27)