8-propyl-7-[4-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butoxy]chromen-4-one

Systemtic Name: 8-propyl-7-[4-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butoxy]chromen-4-one Openeye Name: 8-propyl-7-[4-(2H-tetrazol-5-ylsulfanyl)butoxy]chromen-4-one CAS Name: 8-propyl-7-[4-(2H-tetrazol-5-ylthio)butoxy]-1-benzopyran-4-one IUPAC Name: 8-propyl-7-[4-(2H-tetrazol-5-ylsulfanyl)butoxy]chromen-4-one Traditional Name: 8-propyl-7-[4-(2H-tetrazol-5-ylthio)butoxy]chromone Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC=CC2=O)OCCCCSC3=NNN=N3

Isomeric SMILES

CCCC1=C(C=CC2=C1OC=CC2=O)OCCCCSC3=NNN=N3

InChI

InChI=1S/C17H20N4O3S/c1-2-5-13-15(7-6-12-14(22)8-10-24-16(12)13)23-9-3-4-11-25-17-18-20-21-19-17/h6-8,10H,2-5,9,11H2,1H3,(H,18,19,20,21)