(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(3-fluoro-4-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium Traditional Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(3-fluoro-4-methoxy-benzyl)-methyl-ammonium Formula: C20H23FN5OS+ MolecularWeight: 400.492923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C20H22FN5OS/c1-24(12-14-5-8-18(27-2)17(21)10-14)13-25-20(28)26(16-6-7-16)19(23-25)15-4-3-9-22-11-15/h3-5,8-11,16H,6-7,12-13H2,1-2H3/p+1