1-azanyl-4-oxidanyl-2-(phenylmethylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-oxidanyl-2-(phenylmethylsulfanyl)anthracene-9,10-dione Openeye Name: 1-amino-2-benzylsulfanyl-4-hydroxy-anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-2-(phenylmethylthio)anthracene-9,10-dione IUPAC Name: 1-amino-2-benzylsulfanyl-4-hydroxyanthracene-9,10-dione Traditional Name: 1-amino-2-(benzylthio)-4-hydroxy-9,10-anthraquinone Formula: C21H15NO3S MolecularWeight: 361.4137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

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