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

Systemtic Name: 3-[4-(4-azidobut-1-ynyl)phenyl]-6-oxidanyl-4-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3-[4-(4-azidobut-1-ynyl)phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3-[4-(4-azidobut-1-ynyl)phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile IUPAC Name: 3-[4-(4-azidobut-1-ynyl)phenyl]-6-hydroxy-4-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3-[4-(4-azidobut-1-ynyl)phenyl]-6-hydroxy-4-keto-7H-thieno[2,3-b]pyridine-5-carbonitrile Formula: C18H11N5O2S MolecularWeight: 361.37724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCCN=[N+]=[N-])C2=CSC3=C2C(=O)C(=C(N3)O)C#N

Isomeric SMILES

C1=CC(=CC=C1C#CCCN=[N+]=[N-])C2=CSC3=C2C(=O)C(=C(N3)O)C#N

InChI

InChI=1S/C18H11N5O2S/c19-9-13-16(24)15-14(10-26-18(15)22-17(13)25)12-6-4-11(5-7-12)3-1-2-8-21-23-20/h4-7,10H,2,8H2,(H2,22,24,25)