cyclohexylmethyl-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-methyl-azanium

Systemtic Name: cyclohexylmethyl-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-methyl-azanium Openeye Name: [4-allyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl-(cyclohexylmethyl)-methyl-ammonium CAS Name: cyclohexylmethyl-[[5-[(3-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-methylammonium IUPAC Name: cyclohexylmethyl-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-methylazanium Traditional Name: [4-allyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl-(cyclohexylmethyl)-methyl-ammonium Formula: C21H30FN4S+ MolecularWeight: 389.553103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCCCC1)CC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](CC1CCCCC1)CC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H29FN4S/c1-3-12-26-20(15-25(2)14-17-8-5-4-6-9-17)23-24-21(26)27-16-18-10-7-11-19(22)13-18/h3,7,10-11,13,17H,1,4-6,8-9,12,14-16H2,2H3/p+1