[3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium

Systemtic Name: [3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [3-(2-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [3-(2-furanyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [3-(furan-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [3-(2-furyl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CN2C(=S)N(C(=N2)C3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-24(14-12-17-8-5-6-13-22-17)16-25-21(28)26(18-9-3-2-4-10-18)20(23-25)19-11-7-15-27-19/h2-11,13,15H,12,14,16H2,1H3/p+1