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

Systemtic Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [3-(3-bromophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-(3-bromophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [3-(3-bromophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C16H18BrN4S2+ MolecularWeight: 410.37492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CSC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CSC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H17BrN4S2/c1-19(9-12-6-7-23-10-12)11-21-16(22)20(2)15(18-21)13-4-3-5-14(17)8-13/h3-8,10H,9,11H2,1-2H3/p+1