ethanoic acid; 3-[3-(4-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: ethanoic acid; 3-[3-(4-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: acetic acid; 3-[3-(4-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: acetic acid; 3-[3-(4-methylphenoxy)propylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: acetic acid; 3-[3-(4-methylphenoxy)propylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: acetic acid; [3-[3-(4-methylphenoxy)propylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C14H20N4O3S MolecularWeight: 324.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCSC2=NNC(=N2)N.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCCSC2=NNC(=N2)N.CC(=O)O

InChI

InChI=1S/C12H16N4OS.C2H4O2/c1-9-3-5-10(6-4-9)17-7-2-8-18-12-14-11(13)15-16-12;1-2(3)4/h3-6H,2,7-8H2,1H3,(H3,13,14,15,16);1H3,(H,3,4)