3-butyl-5-phenethylsulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-butyl-5-phenethylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-butyl-5-phenethylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-butyl-5-(phenethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-butyl-5-phenethylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-butyl-5-(phenethylthio)-1,2,4-triazol-4-yl]amine Formula: C14H20N4S MolecularWeight: 276.4004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN=C(N1N)SCCC2=CC=CC=C2

InChI

InChI=1S/C14H20N4S/c1-2-3-9-13-16-17-14(18(13)15)19-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11,15H2,1H3