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

Systemtic Name: N,N-dimethyl-4-[[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Openeye Name: 4-[(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]methyl]aniline IUPAC Name: 4-[(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylaniline Traditional Name: [4-[[3-(benzylthio)-1H-1,2,4-triazol-5-yl]methyl]phenyl]-dimethyl-amine Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H20N4S/c1-22(2)16-10-8-14(9-11-16)12-17-19-18(21-20-17)23-13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,20,21)