2,4,7-tris(ethylsulfanyl)-3-(phenylmethyl)-1H-imidazo[4,5-d]pyridazin-3-ium

Systemtic Name: 2,4,7-tris(ethylsulfanyl)-3-(phenylmethyl)-1H-imidazo[4,5-d]pyridazin-3-ium Openeye Name: 3-benzyl-2,4,7-tris(ethylsulfanyl)-1H-imidazo[4,5-d]pyridazin-3-ium CAS Name: 2,4,7-tris(ethylthio)-3-(phenylmethyl)-1H-imidazo[4,5-d]pyridazin-3-ium IUPAC Name: 3-benzyl-2,4,7-tris(ethylsulfanyl)-1H-imidazo[4,5-d]pyridazin-3-ium Traditional Name: 3-benzyl-2,4,7-tris(ethylthio)-1H-imidazo[4,5-d]pyridazin-3-ium Formula: C18H23N4S3+ MolecularWeight: 391.59702

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(C2=C1NC(=[N+]2CC3=CC=CC=C3)SCC)SCC

Isomeric SMILES

CCSC1=NN=C(C2=C1NC(=[N+]2CC3=CC=CC=C3)SCC)SCC

InChI

InChI=1S/C18H22N4S3/c1-4-23-16-14-15(17(21-20-16)24-5-2)22(18(19-14)25-6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/p+1