(1S)-3-methylsulfanyl-1-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]propan-1-amine

Systemtic Name: (1S)-3-methylsulfanyl-1-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]propan-1-amine Openeye Name: (1S)-1-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-3-methylsulfanyl-propan-1-amine CAS Name: (1S)-3-(methylthio)-1-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]-1-propanamine IUPAC Name: (1S)-1-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-3-methylsulfanylpropan-1-amine Traditional Name: [(1S)-1-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-3-(methylthio)propyl]amine Formula: C13H18N4S2 MolecularWeight: 294.43882

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC(=NN1)SCC2=CC=CC=C2)N

Isomeric SMILES

CSCC[C@@H](C1=NC(=NN1)SCC2=CC=CC=C2)N

InChI

InChI=1S/C13H18N4S2/c1-18-8-7-11(14)12-15-13(17-16-12)19-9-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3,(H,15,16,17)/t11-/m0/s1