methyl-[(4-methylsulfanylphenyl)methyl]-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: methyl-[4-(methylthio)benzyl]-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C18H21N4S2+ MolecularWeight: 357.51614

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CN2C(=S)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CN2C(=S)N(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4S2/c1-20(12-15-8-10-17(24-2)11-9-15)14-22-18(23)21(13-19-22)16-6-4-3-5-7-16/h3-11,13H,12,14H2,1-2H3/p+1