3-[2,5-bis(chloranyl)phenyl]-5-butylsulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[2,5-bis(chloranyl)phenyl]-5-butylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-butylsulfanyl-5-(2,5-dichlorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-(butylthio)-5-(2,5-dichlorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-butylsulfanyl-5-(2,5-dichlorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(butylthio)-5-(2,5-dichlorophenyl)-1,2,4-triazol-4-yl]amine Formula: C12H14Cl2N4S MolecularWeight: 317.23736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1N)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CCCCSC1=NN=C(N1N)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H14Cl2N4S/c1-2-3-6-19-12-17-16-11(18(12)15)9-7-8(13)4-5-10(9)14/h4-5,7H,2-3,6,15H2,1H3