1-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone

Systemtic Name: 1-(2,5,7,8-tetramethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone Openeye Name: 1-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone CAS Name: 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone IUPAC Name: 1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone Traditional Name: 1-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)-2-(1,3,4-thiadiazol-3-ium-3-yl)ethanone Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)C[N+]3=CSC=N3)C)O

Isomeric SMILES

CC1=C(C(=C2CCC(OC2=C1C)(C)C(=O)C[N+]3=CSC=N3)C)O

InChI

InChI=1S/C17H20N2O3S/c1-10-11(2)16-13(12(3)15(10)21)5-6-17(4,22-16)14(20)7-19-9-23-8-18-19/h8-9H,5-7H2,1-4H3/p+1