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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCCN)CC2=CC=CC=C2

InChI

InChI=1S/C13H18N4S/c1-17-12(10-11-6-3-2-4-7-11)15-16-13(17)18-9-5-8-14/h2-4,6-7H,5,8-10,14H2,1H3