4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[1-(4-butylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[1-(4-butylphenyl)-5-tetrazolyl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[1-(4-butylphenyl)tetrazol-5-yl]thio]methyl]-7-hydroxy-coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H20N4O3S/c1-2-3-4-14-5-7-16(8-6-14)25-21(22-23-24-25)29-13-15-11-20(27)28-19-12-17(26)9-10-18(15)19/h5-12,26H,2-4,13H2,1H3