4-[3-(4-chloranylphenoxy)propyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine

Systemtic Name: 4-[3-(4-chloranylphenoxy)propyl]-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-amine Openeye Name: 5-benzylsulfanyl-4-[3-(4-chlorophenoxy)propyl]-1,2,4-triazol-3-amine CAS Name: 4-[3-(4-chlorophenoxy)propyl]-5-(phenylmethylthio)-1,2,4-triazol-3-amine IUPAC Name: 5-benzylsulfanyl-4-[3-(4-chlorophenoxy)propyl]-1,2,4-triazol-3-amine Traditional Name: [5-(benzylthio)-4-[3-(4-chlorophenoxy)propyl]-1,2,4-triazol-3-yl]amine Formula: C18H19ClN4OS MolecularWeight: 374.88766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CCCOC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CCCOC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H19ClN4OS/c19-15-7-9-16(10-8-15)24-12-4-11-23-17(20)21-22-18(23)25-13-14-5-2-1-3-6-14/h1-3,5-10H,4,11-13H2,(H2,20,21)