(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: (4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-phenethyl-ammonium CAS Name: (4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-phenethylazanium Traditional Name: benzyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-phenethyl-ammonium Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=NN(C1=S)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4S/c1-21-15-20-23(19(21)24)16-22(14-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-11,15H,12-14,16H2,1H3/p+1