(diphenylmethyl)-[[4-ethyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium

Systemtic Name: (diphenylmethyl)-[[4-ethyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methyl-azanium Openeye Name: benzhydryl-[[4-ethyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: (diphenylmethyl)-[[4-ethyl-3-(2-furanyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylammonium IUPAC Name: benzhydryl-[[4-ethyl-3-(furan-2-yl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-methylazanium Traditional Name: benzhydryl-[[4-ethyl-3-(2-furyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C23H24N4OS/c1-3-26-22(20-15-10-16-28-20)24-27(23(26)29)17-25(2)21(18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-16,21H,3,17H2,1-2H3/p+1