4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

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