3-(4-phenoxybutylsulfanyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(4-phenoxybutylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-(4-phenoxybutylsulfanyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-(4-phenoxybutylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(4-phenoxybutylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(4-phenoxybutylthio)-1H-1,2,4-triazol-5-yl]amine Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCSC2=NNC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)OCCCCSC2=NNC(=N2)N

InChI

InChI=1S/C12H16N4OS/c13-11-14-12(16-15-11)18-9-5-4-8-17-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H3,13,14,15,16)