4-(2-dimethylaminoethylsulfanyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile hydrochloride

Systemtic Name: 4-(2-dimethylaminoethylsulfanyl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile hydrochloride Openeye Name: 4-(2-dimethylaminoethylsulfanyl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile hydrochloride CAS Name: 4-(2-dimethylaminoethylthio)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile hydrochloride IUPAC Name: 4-(2-dimethylaminoethylsulfanyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile hydrochloride Traditional Name: 4-(2-dimethylaminoethylthio)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile hydrochloride Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SCCN(C)C)O)C.Cl

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SCCN(C)C)O)C.Cl

InChI

InChI=1S/C16H22N2O2S.ClH/c1-16(2)15(19)14(21-8-7-18(3)4)12-9-11(10-17)5-6-13(12)20-16;/h5-6,9,14-15,19H,7-8H2,1-4H3;1H