6-oxidanyl-3-[4-(4-oxidanylbut-1-ynyl)phenyl]-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 6-oxidanyl-3-[4-(4-oxidanylbut-1-ynyl)phenyl]-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 6-hydroxy-3-[4-(4-hydroxybut-1-ynyl)phenyl]-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 6-hydroxy-3-[4-(4-hydroxybut-1-ynyl)phenyl]-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile IUPAC Name: 6-hydroxy-3-[4-(4-hydroxybut-1-ynyl)phenyl]-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 6-hydroxy-3-[4-(4-hydroxybut-1-ynyl)phenyl]-4-keto-7H-thieno[2,3-b]pyridine-5-carbonitrile Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCO)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

Isomeric SMILES

C1=CC(=CC=C1C#CCCO)C2=CSC3=C2C(=O)C(=C(N3)O)C#N

InChI

InChI=1S/C18H12N2O3S/c19-9-13-16(22)15-14(10-24-18(15)20-17(13)23)12-6-4-11(5-7-12)3-1-2-8-21/h4-7,10,21H,2,8H2,(H2,20,22,23)