diethyl-[5-(2-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate

Systemtic Name: diethyl-[5-(2-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate Openeye Name: diethyl-[5-(o-tolylsulfanyl)benzo[a]phenoxazin-9-ylidene]ammonium nitrate CAS Name: diethyl-[5-[(2-methylphenyl)thio]-9-benzo[a]phenoxazinylidene]ammonium nitrate IUPAC Name: diethyl-[5-(2-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium nitrate Traditional Name: diethyl-[5-(o-tolylthio)benzo[a]phenoxazin-9-ylidene]ammonium nitrate Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)SC5=CC=CC=C5C)OC2=C1)CC.[N+](=O)([O-])[O-]

Isomeric SMILES

CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)SC5=CC=CC=C5C)OC2=C1)CC.[N+](=O)([O-])[O-]

InChI

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