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

Systemtic Name: 4-[(3-hexylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(3-hexylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[[3-(hexylthio)-1H-1,2,4-triazol-5-yl]methyl]-N,N-dimethylaniline IUPAC Name: 4-[(3-hexylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylaniline Traditional Name: [4-[[3-(hexylthio)-1H-1,2,4-triazol-5-yl]methyl]phenyl]-dimethyl-amine Formula: C17H26N4S MolecularWeight: 318.48014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NNC(=N1)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCSC1=NNC(=N1)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H26N4S/c1-4-5-6-7-12-22-17-18-16(19-20-17)13-14-8-10-15(11-9-14)21(2)3/h8-11H,4-7,12-13H2,1-3H3,(H,18,19,20)