4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]methyl]-7,8-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=C3C=CC(=C4C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

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