1-azanyl-4-oxidanyl-2-(phenylmethyl)-3-sulfanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-oxidanyl-2-(phenylmethyl)-3-sulfanyl-anthracene-9,10-dione Openeye Name: 1-amino-2-benzyl-4-hydroxy-3-sulfanyl-anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-3-mercapto-2-(phenylmethyl)anthracene-9,10-dione IUPAC Name: 1-amino-2-benzyl-4-hydroxy-3-sulfanylanthracene-9,10-dione Traditional Name: 1-amino-2-benzyl-4-hydroxy-3-mercapto-9,10-anthraquinone Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=C(C(=C2S)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=C(C(=C2S)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C21H15NO3S/c22-17-14(10-11-6-2-1-3-7-11)21(26)20(25)16-15(17)18(23)12-8-4-5-9-13(12)19(16)24/h1-9,25-26H,10,22H2