3-(4-chloranyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanenitrile

Systemtic Name: 3-(4-chloranyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanenitrile Openeye Name: 3-(4-chloro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanenitrile CAS Name: 3-(4-chloro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanenitrile IUPAC Name: 3-(4-chloro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanenitrile Traditional Name: 3-(4-chloro-2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propionitrile Formula: C10H13ClN2OS MolecularWeight: 244.74102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1)Cl)N(C(=O)S2)CCC#N

Isomeric SMILES

C1CC2C(C(C1)Cl)N(C(=O)S2)CCC#N

InChI

InChI=1S/C10H13ClN2OS/c11-7-3-1-4-8-9(7)13(6-2-5-12)10(14)15-8/h7-9H,1-4,6H2