5-[(3-butylsulfonylphenyl)amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-[(3-butylsulfonylphenyl)amino]-3-oxidanylidene-1,2-thiazole-4-carbonitrile Openeye Name: 5-(3-butylsulfonylanilino)-3-oxo-isothiazole-4-carbonitrile CAS Name: 5-(3-butylsulfonylanilino)-3-oxo-4-isothiazolecarbonitrile IUPAC Name: 5-(3-butylsulfonylanilino)-3-oxo-1,2-thiazole-4-carbonitrile Traditional Name: 5-(3-butylsulfonylanilino)-3-keto-4-isothiazoline-4-carbonitrile Formula: C14H15N3O3S2 MolecularWeight: 337.4172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=CC(=C1)NC2=C(C(=O)NS2)C#N

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=CC(=C1)NC2=C(C(=O)NS2)C#N

InChI

InChI=1S/C14H15N3O3S2/c1-2-3-7-22(19,20)11-6-4-5-10(8-11)16-14-12(9-15)13(18)17-21-14/h4-6,8,16H,2-3,7H2,1H3,(H,17,18)