2,2,3-trimethyl-3-oxidanyl-4-pyridin-4-ylsulfanyl-4H-chromene-6-carbonitrile

Systemtic Name: 2,2,3-trimethyl-3-oxidanyl-4-pyridin-4-ylsulfanyl-4H-chromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2,3-trimethyl-4-(4-pyridylsulfanyl)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2,3-trimethyl-4-(pyridin-4-ylthio)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2,3-trimethyl-4-pyridin-4-ylsulfanyl-4H-chromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2,3-trimethyl-4-(4-pyridylthio)chroman-6-carbonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-17(2)18(3,21)16(23-13-6-8-20-9-7-13)14-10-12(11-19)4-5-15(14)22-17/h4-10,16,21H,1-3H3