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

Systemtic Name: N,N-dimethyl-4-[[3-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Openeye Name: N,N-dimethyl-4-[[3-(3-thienylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline CAS Name: N,N-dimethyl-4-[[3-(3-thiophenylmethylthio)-1H-1,2,4-triazol-5-yl]methyl]aniline IUPAC Name: N,N-dimethyl-4-[[3-(thiophen-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]aniline Traditional Name: dimethyl-[4-[[3-(3-thenylthio)-1H-1,2,4-triazol-5-yl]methyl]phenyl]amine Formula: C16H18N4S2 MolecularWeight: 330.47092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4S2/c1-20(2)14-5-3-12(4-6-14)9-15-17-16(19-18-15)22-11-13-7-8-21-10-13/h3-8,10H,9,11H2,1-2H3,(H,17,18,19)