[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC)C

InChI

InChI=1S/C18H21N3O2S/c1-12-13(2)23-18(16(12)9-19)20-17(22)11-21(3)10-14-5-7-15(24-4)8-6-14/h5-8H,10-11H2,1-4H3,(H,20,22)/p+1