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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4CC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4CC4

InChI

InChI=1S/C17H16N2O3S/c1-2-10-3-6-13-12(8-15(20)21-14(13)7-10)9-23-17-19-18-16(22-17)11-4-5-11/h3,6-8,11H,2,4-5,9H2,1H3