3-(2-chlorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-(2-chlorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-(2-chlorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(2-chlorophenyl)-5-(pentylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(2-chlorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(amylthio)-5-(2-chlorophenyl)-1,2,4-triazol-4-yl]amine Formula: C13H17ClN4S MolecularWeight: 296.81888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN=C(N1N)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCCSC1=NN=C(N1N)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H17ClN4S/c1-2-3-6-9-19-13-17-16-12(18(13)15)10-7-4-5-8-11(10)14/h4-5,7-8H,2-3,6,9,15H2,1H3