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

Systemtic Name: 1-[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine CAS Name: 1-[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propan-1-amine Traditional Name: 1-[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=CC=C2)SC)N

Isomeric SMILES

CCC(C1=NN=C(N1CC2=CC=CC=C2)SC)N

InChI

InChI=1S/C13H18N4S/c1-3-11(14)12-15-16-13(18-2)17(12)9-10-7-5-4-6-8-10/h4-8,11H,3,9,14H2,1-2H3