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

Systemtic Name: [5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-methyl-ammonium CAS Name: [5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-methylazanium Traditional Name: benzyl-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-methyl-ammonium Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS/c1-21(12-14-6-4-3-5-7-14)13-22-18(24)19-17(20-22)15-8-10-16(23-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,19,20,24)/p+1