2-phenyl-7-[3-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)propoxy]chromen-4-one

Systemtic Name: 2-phenyl-7-[3-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)propoxy]chromen-4-one Openeye Name: 2-phenyl-7-[3-(2H-tetrazol-5-ylsulfanyl)propoxy]chromen-4-one CAS Name: 2-phenyl-7-[3-(2H-tetrazol-5-ylthio)propoxy]-1-benzopyran-4-one IUPAC Name: 2-phenyl-7-[3-(2H-tetrazol-5-ylsulfanyl)propoxy]chromen-4-one Traditional Name: 2-phenyl-7-[3-(2H-tetrazol-5-ylthio)propoxy]chromone Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCSC4=NNN=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCSC4=NNN=N4

InChI

InChI=1S/C19H16N4O3S/c24-16-12-17(13-5-2-1-3-6-13)26-18-11-14(7-8-15(16)18)25-9-4-10-27-19-20-22-23-21-19/h1-3,5-8,11-12H,4,9-10H2,(H,20,21,22,23)