3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-butyl-5-[(3-chlorophenyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-butyl-5-[(3-chlorobenzyl)thio]-1,2,4-triazol-4-yl]amine Formula: C13H17ClN4S MolecularWeight: 296.81888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC2=CC(=CC=C2)Cl

InChI

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