4-[(2-chloranyl-5-oxidanyl-phenyl)amino]-5-(5-methanoyl-1-benzothiophen-2-yl)pyridine-3-carbonitrile

Systemtic Name: 4-[(2-chloranyl-5-oxidanyl-phenyl)amino]-5-(5-methanoyl-1-benzothiophen-2-yl)pyridine-3-carbonitrile Openeye Name: 4-(2-chloro-5-hydroxy-anilino)-5-(5-formylbenzothiophen-2-yl)pyridine-3-carbonitrile CAS Name: 4-(2-chloro-5-hydroxyanilino)-5-(5-formyl-1-benzothiophen-2-yl)-3-pyridinecarbonitrile IUPAC Name: 4-(2-chloro-5-hydroxyanilino)-5-(5-formyl-1-benzothiophen-2-yl)pyridine-3-carbonitrile Traditional Name: 4-(2-chloro-5-hydroxy-anilino)-5-(5-formylbenzothiophen-2-yl)nicotinonitrile Formula: C21H12ClN3O2S MolecularWeight: 405.85688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C=O)C=C(S2)C3=C(C(=CN=C3)C#N)NC4=C(C=CC(=C4)O)Cl

Isomeric SMILES

C1=CC2=C(C=C1C=O)C=C(S2)C3=C(C(=CN=C3)C#N)NC4=C(C=CC(=C4)O)Cl

InChI

InChI=1S/C21H12ClN3O2S/c22-17-3-2-15(27)7-18(17)25-21-14(8-23)9-24-10-16(21)20-6-13-5-12(11-26)1-4-19(13)28-20/h1-7,9-11,27H,(H,24,25)