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

Systemtic Name: 3-(2-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-(2-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(2-chlorophenyl)-5-(hexylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(2-chlorophenyl)-5-hexylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(2-chlorophenyl)-5-(hexylthio)-1,2,4-triazol-4-yl]amine Formula: C14H19ClN4S MolecularWeight: 310.84546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(N1N)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCSC1=NN=C(N1N)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H19ClN4S/c1-2-3-4-7-10-20-14-18-17-13(19(14)16)11-8-5-6-9-12(11)15/h5-6,8-9H,2-4,7,10,16H2,1H3