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

Systemtic Name: 4-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[1-(4-chlorophenyl)-5-tetrazolyl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[1-(4-chlorophenyl)tetrazol-5-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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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)Cl)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c1-12(2)17-10-18-14(9-20(27)28-19(18)8-13(17)3)11-29-21-23-24-25-26(21)16-6-4-15(22)5-7-16/h4-10,12H,11H2,1-3H3