1,3,6-trimethylpyrene-2-thiol

Systemtic Name: 1,3,6-trimethylpyrene-2-thiol Openeye Name: 1,3,6-trimethylpyrene-2-thiol CAS Name: 1,3,6-trimethyl-2-pyrenethiol IUPAC Name: 1,3,6-trimethylpyrene-2-thiol Traditional Name: 1,3,6-trimethylpyrene-2-thiol Formula: C19H16S MolecularWeight: 276.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=C(C(=C(C4=C3C2=C(C=C1)C=C4)C)S)C

Isomeric SMILES

CC1=C2C=CC3=C(C(=C(C4=C3C2=C(C=C1)C=C4)C)S)C

InChI

InChI=1S/C19H16S/c1-10-4-5-13-6-7-15-11(2)19(20)12(3)16-9-8-14(10)17(13)18(15)16/h4-9,20H,1-3H3