3-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[(2-butoxy-5-chloranyl-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Openeye Name: 3-[(2-butoxy-5-chloro-phenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine CAS Name: 3-[(2-butoxy-5-chlorophenyl)methylthio]-5-methyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-butoxy-5-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-butoxy-5-chloro-benzyl)thio]-5-methyl-1,2,4-triazol-4-yl]amine Formula: C14H19ClN4OS MolecularWeight: 326.84486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2N)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)CSC2=NN=C(N2N)C

InChI

InChI=1S/C14H19ClN4OS/c1-3-4-7-20-13-6-5-12(15)8-11(13)9-21-14-18-17-10(2)19(14)16/h5-6,8H,3-4,7,9,16H2,1-2H3