4-azanyl-5-(8-oxidanylquinolin-5-yl)carbonyl-2-(phenylmethylsulfanyl)thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(8-oxidanylquinolin-5-yl)carbonyl-2-(phenylmethylsulfanyl)thiophene-3-carbonitrile Openeye Name: 4-amino-2-benzylsulfanyl-5-(8-hydroxyquinoline-5-carbonyl)thiophene-3-carbonitrile CAS Name: 4-amino-5-[(8-hydroxy-5-quinolinyl)-oxomethyl]-2-(phenylmethylthio)-3-thiophenecarbonitrile IUPAC Name: 4-amino-2-benzylsulfanyl-5-(8-hydroxyquinoline-5-carbonyl)thiophene-3-carbonitrile Traditional Name: 4-amino-2-(benzylthio)-5-(8-hydroxyquinoline-5-carbonyl)thiophene-3-carbonitrile Formula: C22H15N3O2S2 MolecularWeight: 417.5034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(S2)C(=O)C3=C4C=CC=NC4=C(C=C3)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(S2)C(=O)C3=C4C=CC=NC4=C(C=C3)O)N)C#N

InChI

InChI=1S/C22H15N3O2S2/c23-11-16-18(24)21(29-22(16)28-12-13-5-2-1-3-6-13)20(27)15-8-9-17(26)19-14(15)7-4-10-25-19/h1-10,26H,12,24H2