2-ethylsulfanyl-3-[4-(2-ethylsulfanyl-6-methyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)phenyl]-6-methyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-ethylsulfanyl-3-[4-(2-ethylsulfanyl-6-methyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)phenyl]-6-methyl-4aH-quinazolin-3-ium-4-one Openeye Name: 2-ethylsulfanyl-3-[4-(2-ethylsulfanyl-6-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)phenyl]-6-methyl-4aH-quinazolin-3-ium-4-one CAS Name: 2-(ethylthio)-3-[4-[2-(ethylthio)-6-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl]phenyl]-6-methyl-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-ethylsulfanyl-3-[4-(2-ethylsulfanyl-6-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)phenyl]-6-methyl-4aH-quinazolin-3-ium-4-one Traditional Name: 2-(ethylthio)-3-[4-[2-(ethylthio)-4-keto-6-methyl-4aH-quinazolin-3-ium-3-yl]phenyl]-6-methyl-4aH-quinazolin-3-ium-4-one Formula: C28H28N4O2S2+2 MolecularWeight: 516.67752

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[N+](C(=O)C2C=C(C=CC2=N1)C)C3=CC=C(C=C3)[N+]4=C(N=C5C=CC(=CC5C4=O)C)SCC

Isomeric SMILES

CCSC1=[N+](C(=O)C2C=C(C=CC2=N1)C)C3=CC=C(C=C3)[N+]4=C(N=C5C=CC(=CC5C4=O)C)SCC

InChI

InChI=1S/C28H28N4O2S2/c1-5-35-27-29-23-13-7-17(3)15-21(23)25(33)31(27)19-9-11-20(12-10-19)32-26(34)22-16-18(4)8-14-24(22)30-28(32)36-6-2/h7-16,21-22H,5-6H2,1-4H3/q+2