methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: (4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: (4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-(3-thenyl)ammonium Formula: C17H21N4S2+ MolecularWeight: 345.50544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+](C)CC3=CSC=C3

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)C[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C17H20N4S2/c1-14-18-21(13-19(2)10-16-8-9-23-12-16)17(22)20(14)11-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3/p+1