cyclopropyl-[(4-fluorophenyl)methyl]-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: cyclopropyl-[(4-fluorophenyl)methyl]-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopropyl-[(4-fluorophenyl)methyl]ammonium CAS Name: cyclopropyl-[(4-fluorophenyl)methyl]-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: cyclopropyl-[(4-fluorophenyl)methyl]-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopropyl-(4-fluorobenzyl)ammonium Formula: C21H23FN5S+ MolecularWeight: 396.504223

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+](CC2=CC=C(C=C2)F)C3CC3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+](CC2=CC=C(C=C2)F)C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H22FN5S/c1-2-12-26-20(17-4-3-11-23-13-17)24-27(21(26)28)15-25(19-9-10-19)14-16-5-7-18(22)8-6-16/h2-8,11,13,19H,1,9-10,12,14-15H2/p+1