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

Systemtic Name: [3-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]phenyl]methanamine Openeye Name: [3-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]phenyl]methanamine CAS Name: [3-[3-(1H-1,2,4-triazol-5-ylthio)propoxy]phenyl]methanamine IUPAC Name: [3-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]phenyl]methanamine Traditional Name: [3-[3-(1H-1,2,4-triazol-5-ylthio)propoxy]benzyl]amine Formula: C12H16N4OS MolecularWeight: 264.34664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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