2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 2-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonylamino]ethyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 2-[[(4-amino-1,2,5-oxadiazol-3-yl)-oxomethyl]amino]ethyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: 2-[(4-aminofurazan-3-carbonyl)amino]ethyl-[4-(methylthio)benzyl]ammonium Formula: C13H18N5O2S+ MolecularWeight: 308.37932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CCNC(=O)C2=NON=C2N

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CCNC(=O)C2=NON=C2N

InChI

InChI=1S/C13H17N5O2S/c1-21-10-4-2-9(3-5-10)8-15-6-7-16-13(19)11-12(14)18-20-17-11/h2-5,15H,6-8H2,1H3,(H2,14,18)(H,16,19)/p+1