1,4-bis(azanyl)-2-[4-[(E)-3-phenylprop-2-enoyl]phenyl]sulfanyl-anthracene-9,10-dione

Systemtic Name: 1,4-bis(azanyl)-2-[4-[(E)-3-phenylprop-2-enoyl]phenyl]sulfanyl-anthracene-9,10-dione Openeye Name: 1,4-diamino-2-[4-[(E)-3-phenylprop-2-enoyl]phenyl]sulfanyl-anthracene-9,10-dione CAS Name: 1,4-diamino-2-[[4-[(E)-1-oxo-3-phenylprop-2-enyl]phenyl]thio]anthracene-9,10-dione IUPAC Name: 1,4-diamino-2-[4-[(E)-3-phenylprop-2-enoyl]phenyl]sulfanylanthracene-9,10-dione Traditional Name: 1,4-diamino-2-[[4-[(E)-3-phenylacryloyl]phenyl]thio]-9,10-anthraquinone Formula: C29H20N2O3S MolecularWeight: 476.5457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SC3=C(C4=C(C(=C3)N)C(=O)C5=CC=CC=C5C4=O)N

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)SC3=C(C4=C(C(=C3)N)C(=O)C5=CC=CC=C5C4=O)N

InChI

InChI=1S/C29H20N2O3S/c30-22-16-24(27(31)26-25(22)28(33)20-8-4-5-9-21(20)29(26)34)35-19-13-11-18(12-14-19)23(32)15-10-17-6-2-1-3-7-17/h1-16H,30-31H2/b15-10+