3-(2-azanyl-3-methyl-phenyl)sulfanyl-2-octoxy-benzo[b]phenalen-7-one

Systemtic Name: 3-(2-azanyl-3-methyl-phenyl)sulfanyl-2-octoxy-benzo[b]phenalen-7-one Openeye Name: 3-(2-amino-3-methyl-phenyl)sulfanyl-2-octoxy-benzo[b]phenalen-7-one CAS Name: 3-[(2-amino-3-methylphenyl)thio]-2-octoxy-7-benzo[b]phenalenone IUPAC Name: 3-(2-amino-3-methylphenyl)sulfanyl-2-octoxybenzo[b]phenalen-7-one Traditional Name: 3-[(2-amino-3-methyl-phenyl)thio]-2-octoxy-benzo[b]phenalen-7-one Formula: C32H33NO2S MolecularWeight: 495.67492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=C1)SC5=CC=CC(=C5N)C

Isomeric SMILES

CCCCCCCCOC1=C(C2=C3C(=CC=C2)C(=O)C4=CC=CC=C4C3=C1)SC5=CC=CC(=C5N)C

InChI

InChI=1S/C32H33NO2S/c1-3-4-5-6-7-10-19-35-27-20-26-22-14-8-9-15-23(22)31(34)24-16-12-17-25(29(24)26)32(27)36-28-18-11-13-21(2)30(28)33/h8-9,11-18,20H,3-7,10,19,33H2,1-2H3