N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-aniline

Systemtic Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoranyl-aniline Openeye Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-aniline CAS Name: N-[[5-(2-dimethylaminoethylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline IUPAC Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline Traditional Name: 2-[[5-[(4-fluoroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]ethyl-dimethyl-amine Formula: C14H20FN5S MolecularWeight: 309.405503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCN(C)C)CNC2=CC=C(C=C2)F

Isomeric SMILES

CN1C(=NN=C1SCCN(C)C)CNC2=CC=C(C=C2)F

InChI

InChI=1S/C14H20FN5S/c1-19(2)8-9-21-14-18-17-13(20(14)3)10-16-12-6-4-11(15)5-7-12/h4-7,16H,8-10H2,1-3H3