3-[3-(4-chloranyl-2-methyl-phenoxy)propyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[3-(4-chloranyl-2-methyl-phenoxy)propyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[3-(4-chloro-2-methyl-phenoxy)propyl]-4-(2-furylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[3-(4-chloro-2-methyl-phenoxy)propyl]-4-(2-furfuryl)-1H-1,2,4-triazole-5-thione Formula: C17H18ClN3O2S MolecularWeight: 363.86172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC2=NNC(=S)N2CC3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC2=NNC(=S)N2CC3=CC=CO3

InChI

InChI=1S/C17H18ClN3O2S/c1-12-10-13(18)6-7-15(12)23-9-3-5-16-19-20-17(24)21(16)11-14-4-2-8-22-14/h2,4,6-8,10H,3,5,9,11H2,1H3,(H,20,24)