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

Systemtic Name: 7-methyl-4-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(O3)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C23H22N2O3S/c1-14(2)18-12-19-17(11-22(26)27-20(19)9-15(18)3)13-29-23-25-24-21(28-23)10-16-7-5-4-6-8-16/h4-9,11-12,14H,10,13H2,1-3H3