cyclopropylmethyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-propyl-azanium

Systemtic Name: cyclopropylmethyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-propyl-azanium Openeye Name: cyclopropylmethyl-[[4-(4-fluorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-propyl-ammonium CAS Name: cyclopropylmethyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-propylammonium IUPAC Name: cyclopropylmethyl-[[4-(4-fluorophenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-propylazanium Traditional Name: cyclopropylmethyl-[[4-(4-fluorophenyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-propyl-ammonium Formula: C21H25FN5S+ MolecularWeight: 398.520103

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC[NH+](CC1CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN5S/c1-2-13-25(14-16-3-4-16)15-26-21(28)27(19-7-5-18(22)6-8-19)20(24-26)17-9-11-23-12-10-17/h5-12,16H,2-4,13-15H2,1H3/p+1