(E)-ethylsulfanyl-[2-oxidanylidene-1-(phenylmethyl)imidazo[2,1-a]isoquinolin-4-ium-3-ylidene]methanolate

Systemtic Name: (E)-ethylsulfanyl-[2-oxidanylidene-1-(phenylmethyl)imidazo[2,1-a]isoquinolin-4-ium-3-ylidene]methanolate Openeye Name: (E)-(1-benzyl-2-oxo-imidazo[2,1-a]isoquinolin-4-ium-3-ylidene)-ethylsulfanyl-methanolate CAS Name: (E)-(ethylthio)-[2-oxo-1-(phenylmethyl)-3-imidazo[2,1-a]isoquinolin-4-iumylidene]methanolate IUPAC Name: (E)-(1-benzyl-2-oxoimidazo[2,1-a]isoquinolin-4-ium-3-ylidene)-ethylsulfanylmethanolate Traditional Name: (E)-(1-benzyl-2-keto-imidaz[2,1-a]isoquinolin-4-ium-3-ylidene)-(ethylthio)methanolate Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C1C(=O)N(C2=[N+]1C=CC3=CC=CC=C32)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CCS/C(=C/1\C(=O)N(C2=[N+]1C=CC3=CC=CC=C32)CC4=CC=CC=C4)/[O-]

InChI

InChI=1S/C21H18N2O2S/c1-2-26-21(25)18-20(24)23(14-15-8-4-3-5-9-15)19-17-11-7-6-10-16(17)12-13-22(18)19/h3-13H,2,14H2,1H3