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

Systemtic Name: [4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: [4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-(3-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: benzyl-[[4-(3-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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