1-[[4-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione

Systemtic Name: 1-[[4-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione Openeye Name: 1-[[4-(p-tolylmethoxy)-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione CAS Name: 1-[[4-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-yl]thio]anthracene-9,10-dione IUPAC Name: 1-[[4-[(4-methylphenyl)methoxy]-1,3-benzothiazol-2-yl]sulfanyl]anthracene-9,10-dione Traditional Name: 1-[[4-(4-methylbenzyl)oxy-1,3-benzothiazol-2-yl]thio]-9,10-anthraquinone Formula: C29H19NO3S2 MolecularWeight: 493.59606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C3C(=CC=C2)SC(=N3)SC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C3C(=CC=C2)SC(=N3)SC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C29H19NO3S2/c1-17-12-14-18(15-13-17)16-33-22-9-5-11-24-26(22)30-29(35-24)34-23-10-4-8-21-25(23)28(32)20-7-3-2-6-19(20)27(21)31/h2-15H,16H2,1H3