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

Systemtic Name: 8-propyl-7-[3-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)propoxy]-2,3-dihydrochromen-4-one Openeye Name: 8-propyl-7-[3-(2H-tetrazol-5-ylsulfanyl)propoxy]chroman-4-one CAS Name: 8-propyl-7-[3-(2H-tetrazol-5-ylthio)propoxy]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 8-propyl-7-[3-(2H-tetrazol-5-ylsulfanyl)propoxy]-2,3-dihydrochromen-4-one Traditional Name: 8-propyl-7-[3-(2H-tetrazol-5-ylthio)propoxy]chroman-4-one Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OCCC2=O)OCCCSC3=NNN=N3

Isomeric SMILES

CCCC1=C(C=CC2=C1OCCC2=O)OCCCSC3=NNN=N3

InChI

InChI=1S/C16H20N4O3S/c1-2-4-12-14(6-5-11-13(21)7-9-23-15(11)12)22-8-3-10-24-16-17-19-20-18-16/h5-6H,2-4,7-10H2,1H3,(H,17,18,19,20)