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

Systemtic Name: 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4CC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4CC4)C

InChI

InChI=1S/C17H16N2O3S/c1-9-5-13-12(7-15(20)21-14(13)6-10(9)2)8-23-17-19-18-16(22-17)11-3-4-11/h5-7,11H,3-4,8H2,1-2H3