3-azanyl-2-(2H-1,2,3,4-tetrazol-5-yl)-8-[2-(4-thiophen-2-ylbutoxy)phenyl]carbonyl-chromen-4-one

Systemtic Name: 3-azanyl-2-(2H-1,2,3,4-tetrazol-5-yl)-8-[2-(4-thiophen-2-ylbutoxy)phenyl]carbonyl-chromen-4-one Openeye Name: 3-amino-2-(2H-tetrazol-5-yl)-8-[2-[4-(2-thienyl)butoxy]benzoyl]chromen-4-one CAS Name: 3-amino-8-[oxo-[2-(4-thiophen-2-ylbutoxy)phenyl]methyl]-2-(2H-tetrazol-5-yl)-1-benzopyran-4-one IUPAC Name: 3-amino-2-(2H-tetrazol-5-yl)-8-[2-(4-thiophen-2-ylbutoxy)benzoyl]chromen-4-one Traditional Name: 3-amino-2-(2H-tetrazol-5-yl)-8-[2-[4-(2-thienyl)butoxy]benzoyl]chromone Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=CC3=C2OC(=C(C3=O)N)C4=NNN=N4)OCCCCC5=CC=CS5

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=CC3=C2OC(=C(C3=O)N)C4=NNN=N4)OCCCCC5=CC=CS5

InChI

InChI=1S/C25H21N5O4S/c26-20-22(32)18-11-5-10-17(23(18)34-24(20)25-27-29-30-28-25)21(31)16-9-1-2-12-19(16)33-13-4-3-7-15-8-6-14-35-15/h1-2,5-6,8-12,14H,3-4,7,13,26H2,(H,27,28,29,30)