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

Systemtic Name: 4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-[[[1-(2-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=CC=C4OC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=CC=C4OC)C(C)C

InChI

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