4-[[3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[[3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]-N,N-dimethyl-aniline Openeye Name: 4-[[3-(2-furylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]-N,N-dimethyl-aniline CAS Name: 4-[[3-(2-furanylmethylthio)-1H-1,2,4-triazol-5-yl]methyl]-N,N-dimethylaniline IUPAC Name: 4-[[3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]-N,N-dimethylaniline Traditional Name: [4-[[3-(2-furfurylthio)-1H-1,2,4-triazol-5-yl]methyl]phenyl]-dimethyl-amine Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CO3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CO3

InChI

InChI=1S/C16H18N4OS/c1-20(2)13-7-5-12(6-8-13)10-15-17-16(19-18-15)22-11-14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,17,18,19)