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

Systemtic Name: diethyl-[5-(3-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium Openeye Name: diethyl-[5-(m-tolylsulfanyl)benzo[a]phenoxazin-9-ylidene]ammonium CAS Name: diethyl-[5-[(3-methylphenyl)thio]-9-benzo[a]phenoxazinylidene]ammonium IUPAC Name: diethyl-[5-(3-methylphenyl)sulfanylbenzo[a]phenoxazin-9-ylidene]azanium Traditional Name: diethyl-[5-(m-tolylthio)benzo[a]phenoxazin-9-ylidene]ammonium Formula: C27H25N2OS+ MolecularWeight: 425.5652

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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(=C5)C)OC2=C1)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H25N2OS/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/h6-17H,4-5H2,1-3H3/q+1