[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]methanamine

Systemtic Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]methanamine Openeye Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]methanamine CAS Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]propoxy]phenyl]methanamine IUPAC Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]phenyl]methanamine Traditional Name: [4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]propoxy]benzyl]amine Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCCOC2=CC=C(C=C2)CN

Isomeric SMILES

CN1C=NN=C1SCCCOC2=CC=C(C=C2)CN

InChI

InChI=1S/C13H18N4OS/c1-17-10-15-16-13(17)19-8-2-7-18-12-5-3-11(9-14)4-6-12/h3-6,10H,2,7-9,14H2,1H3