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

Systemtic Name: 3-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine Openeye Name: 3-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine CAS Name: 3-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]-1-propanamine IUPAC Name: 3-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine Traditional Name: 3-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]propylamine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2)SCCCN

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2)SCCCN

InChI

InChI=1S/C12H16N4S/c13-7-4-8-17-12-14-11(15-16-12)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,15,16)