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

Systemtic Name: 3-[(4-aminophenyl)methylsulfanyl]-5-butyl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-aminophenyl)methylsulfanyl]-5-butyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-aminophenyl)methylthio]-5-butyl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-aminophenyl)methylsulfanyl]-5-butyl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-aminobenzyl)thio]-5-butyl-1,2,4-triazol-4-yl]amine Formula: C13H19N5S MolecularWeight: 277.38846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5S/c1-2-3-4-12-16-17-13(18(12)15)19-9-10-5-7-11(14)8-6-10/h5-8H,2-4,9,14-15H2,1H3