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

Systemtic Name: 3-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine Openeye Name: 3-[(5-isopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine CAS Name: 3-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-propanamine IUPAC Name: 3-[(4-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine Traditional Name: 3-[(5-isopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propylamine Formula: C14H20N4S MolecularWeight: 276.4004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC=CC=C2)SCCCN

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC=CC=C2)SCCCN

InChI

InChI=1S/C14H20N4S/c1-11(2)13-16-17-14(19-10-6-9-15)18(13)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,15H2,1-2H3