diethyl-[5-(3-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate

Systemtic Name: diethyl-[5-(3-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate Openeye Name: diethyl-[5-(m-tolylsulfanyl)benzo[a]phenoxazin-9-ylidene]ammonium nitrate CAS Name: diethyl-[5-[(3-methylphenyl)thio]-9-benzo[a]phenoxazinylidene]ammonium nitrate IUPAC Name: diethyl-[5-(3-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate Traditional Name: diethyl-[5-(m-tolylthio)benzo[a]phenoxazin-9-ylidene]ammonium nitrate Formula: C27H25N3O4S MolecularWeight: 487.5701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)SC5=CC=CC(=C5)C)OC2=C1)CC.[N+](=O)([O-])[O-]

Isomeric SMILES

CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)SC5=CC=CC(=C5)C)OC2=C1)CC.[N+](=O)([O-])[O-]

InChI

InChI=1S/C27H25N2OS.NO3/c1-4-29(5-2)19-13-14-23-24(16-19)30-25-17-26(31-20-10-8-9-18(3)15-20)21-11-6-7-12-22(21)27(25)28-23;2-1(3)4/h6-17H,4-5H2,1-3H3;/q+1;-1