3-hexylsulfanyl-5-phenyl-1,2,4-triazol-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(N1N)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC1=NN=C(N1N)C2=CC=CC=C2

InChI

InChI=1S/C14H20N4S/c1-2-3-4-8-11-19-14-17-16-13(18(14)15)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11,15H2,1H3