2-(diphenylamino)-3-(3-methoxyphenyl)sulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-(diphenylamino)-3-(3-methoxyphenyl)sulfanyl-naphthalene-1,4-dione Openeye Name: 2-(3-methoxyphenyl)sulfanyl-3-(N-phenylanilino)naphthalene-1,4-dione CAS Name: 2-[(3-methoxyphenyl)thio]-3-(N-phenylanilino)naphthalene-1,4-dione IUPAC Name: 2-(3-methoxyphenyl)sulfanyl-3-(N-phenylanilino)naphthalene-1,4-dione Traditional Name: 2-[(3-methoxyphenyl)thio]-3-(N-phenylanilino)-1,4-naphthoquinone Formula: C29H21NO3S MolecularWeight: 463.54694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)N(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H21NO3S/c1-33-22-15-10-16-23(19-22)34-29-26(27(31)24-17-8-9-18-25(24)28(29)32)30(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-19H,1H3