4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-[[[1-(4-methoxyphenyl)tetrazol-5-yl]thio]methyl]-7-methyl-coumarin Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=C(C=C4)OC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=C(C=C4)OC)C(C)C

InChI

InChI=1S/C22H22N4O3S/c1-13(2)18-11-19-15(10-21(27)29-20(19)9-14(18)3)12-30-22-23-24-25-26(22)16-5-7-17(28-4)8-6-16/h5-11,13H,12H2,1-4H3