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

Systemtic Name: 4-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[1-(2-furylmethyl)tetrazol-5-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[1-(2-furanylmethyl)-5-tetrazolyl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[1-(2-furfuryl)tetrazol-5-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3CC4=CC=CO4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3CC4=CC=CO4)C(C)C

InChI

InChI=1S/C20H20N4O3S/c1-12(2)16-9-17-14(8-19(25)27-18(17)7-13(16)3)11-28-20-21-22-23-24(20)10-15-5-4-6-26-15/h4-9,12H,10-11H2,1-3H3