3-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)propan-1-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=CC=C2)CCCN

Isomeric SMILES

CSC1=NN=C(N1C2=CC=CC=C2)CCCN

InChI

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