4-(4-octylphenyl)-1-(2H-1,2,3-triazol-4-ylsulfanyl)butan-2-amine

Systemtic Name: 4-(4-octylphenyl)-1-(2H-1,2,3-triazol-4-ylsulfanyl)butan-2-amine Openeye Name: 4-(4-octylphenyl)-1-(2H-triazol-4-ylsulfanyl)butan-2-amine CAS Name: 4-(4-octylphenyl)-1-(2H-triazol-4-ylthio)-2-butanamine IUPAC Name: 4-(4-octylphenyl)-1-(2H-triazol-4-ylsulfanyl)butan-2-amine Traditional Name: [3-(4-octylphenyl)-1-[(2H-triazol-4-ylthio)methyl]propyl]amine Formula: C20H32N4S MolecularWeight: 360.55988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CSC2=NNN=C2)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CSC2=NNN=C2)N

InChI

InChI=1S/C20H32N4S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)16-25-20-15-22-24-23-20/h9-12,15,19H,2-8,13-14,16,21H2,1H3,(H,22,23,24)