4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C19H22N4O3S3 MolecularWeight: 450.59798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H22N4O3S3/c1-14-12-28-19(22-14)16(10-20)17(24)13-27-18-7-6-15(11-21-18)29(25,26)23-8-4-2-3-5-9-23/h6-7,11-12,16H,2-5,8-9,13H2,1H3