2,2-dimethyl-3-oxidanyl-4-pyridin-3-ylsulfanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-pyridin-3-ylsulfanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-(3-pyridylsulfanyl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-(3-pyridinylthio)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-pyridin-3-ylsulfanyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-dimethyl-4-(3-pyridylthio)chroman-6-carbonitrile Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=CN=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)SC3=CN=CC=C3)O)C

InChI

InChI=1S/C17H16N2O2S/c1-17(2)16(20)15(22-12-4-3-7-19-10-12)13-8-11(9-18)5-6-14(13)21-17/h3-8,10,15-16,20H,1-2H3