3-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]aniline

Systemtic Name: 3-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]aniline Openeye Name: 3-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]aniline CAS Name: 3-[3-(1H-1,2,4-triazol-5-ylthio)propoxy]aniline IUPAC Name: 3-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]aniline Traditional Name: [3-[3-(1H-1,2,4-triazol-5-ylthio)propoxy]phenyl]amine Formula: C11H14N4OS MolecularWeight: 250.32006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCSC2=NC=NN2)N

Isomeric SMILES

C1=CC(=CC(=C1)OCCCSC2=NC=NN2)N

InChI

InChI=1S/C11H14N4OS/c12-9-3-1-4-10(7-9)16-5-2-6-17-11-13-8-14-15-11/h1,3-4,7-8H,2,5-6,12H2,(H,13,14,15)