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

Systemtic Name: 6,7-dimethyl-4-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N2O3S/c1-13-8-17-16(11-20(24)25-18(17)9-14(13)2)12-27-21-23-22-19(26-21)10-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3