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

Systemtic Name: [4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]phenyl]methanamine Openeye Name: [4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]phenyl]methanamine CAS Name: [4-[3-(1H-1,2,4-triazol-5-ylthio)propoxy]phenyl]methanamine IUPAC Name: [4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]phenyl]methanamine Traditional Name: [4-[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=C1CN)OCCCSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1CN)OCCCSC2=NC=NN2

InChI

InChI=1S/C12H16N4OS/c13-8-10-2-4-11(5-3-10)17-6-1-7-18-12-14-9-15-16-12/h2-5,9H,1,6-8,13H2,(H,14,15,16)