2-[(4-tert-butyl-6-methyl-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(4-tert-butyl-6-methyl-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(4-tert-butyl-6-methyl-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(4-tert-butyl-6-methyl-2-pyranylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(4-tert-butyl-6-methylpyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(4-tert-butyl-6-methyl-pyran-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C20H24NOS+ MolecularWeight: 326.47566

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(C=C(O3)C)C(C)(C)C

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C=C3C=C(C=C(O3)C)C(C)(C)C

InChI

InChI=1S/C20H24NOS/c1-6-21-17-9-7-8-10-18(17)23-19(21)13-16-12-15(20(3,4)5)11-14(2)22-16/h7-13H,6H2,1-5H3/q+1