6-[[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile

Systemtic Name: 6-[[3-[cyclopropyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Openeye Name: 6-[[3-[cyclopropyl-(2-hydroxy-4-oxo-chromen-3-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile CAS Name: 6-[[3-[cyclopropyl-(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]phenyl]methylsulfonyl]-3-pyridinecarbonitrile IUPAC Name: 6-[[3-[cyclopropyl-(2-hydroxy-4-oxochromen-3-yl)methyl]phenyl]methylsulfonyl]pyridine-3-carbonitrile Traditional Name: 6-[3-[cyclopropyl-(2-hydroxy-4-keto-chromen-3-yl)methyl]benzyl]sulfonylnicotinonitrile Formula: C26H20N2O5S MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC=C(C=C3)C#N)C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

C1CC1C(C2=CC=CC(=C2)CS(=O)(=O)C3=NC=C(C=C3)C#N)C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C26H20N2O5S/c27-13-17-8-11-22(28-14-17)34(31,32)15-16-4-3-5-19(12-16)23(18-9-10-18)24-25(29)20-6-1-2-7-21(20)33-26(24)30/h1-8,11-12,14,18,23,30H,9-10,15H2