4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H16N2O3S2/c1-11-9-24-17(19-11)13(8-18)14(20)10-23-12-3-4-15-16(7-12)22-6-2-5-21-15/h3-4,7,9,13H,2,5-6,10H2,1H3