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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4S/c1-16-11(10-6-3-2-4-7-10)14-15-12(16)17-9-5-8-13/h2-4,6-7H,5,8-9,13H2,1H3