1-cyclohex-3-en-1-yl-N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-methanamine

Systemtic Name: 1-cyclohex-3-en-1-yl-N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-methanamine Openeye Name: N-[[4-allyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1-cyclohex-3-en-1-yl-N-methyl-methanamine CAS Name: 1-(1-cyclohex-3-enyl)-N-[[5-[(3-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine IUPAC Name: 1-cyclohex-3-en-1-yl-N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine Traditional Name: [4-allyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl-(cyclohex-3-en-1-ylmethyl)-methyl-amine Formula: C21H27FN4S MolecularWeight: 386.529283

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC=CC1)CC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F

Isomeric SMILES

CN(CC1CCC=CC1)CC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN4S/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/h3-5,7,10-11,13,17H,1,6,8-9,12,14-16H2,2H3