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

Systemtic Name: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-pyridin-4-yl-methanamine Openeye Name: N-[[4-allyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(4-pyridyl)methanamine CAS Name: N-[[5-[(3-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine IUPAC Name: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-pyridin-4-ylmethanamine Traditional Name: [4-allyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl-methyl-(4-pyridylmethyl)amine Formula: C20H22FN5S MolecularWeight: 383.485583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC=C1)CC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F

Isomeric SMILES

CN(CC1=CC=NC=C1)CC2=NN=C(N2CC=C)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN5S/c1-3-11-26-19(14-25(2)13-16-7-9-22-10-8-16)23-24-20(26)27-15-17-5-4-6-18(21)12-17/h3-10,12H,1,11,13-15H2,2H3