3-[3-(2,5-dimethylphenoxy)propylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[3-(2,5-dimethylphenoxy)propylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[3-(2,5-dimethylphenoxy)propylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[3-(2,5-dimethylphenoxy)propylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[3-(2,5-dimethylphenoxy)propylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[3-(2,5-dimethylphenoxy)propylthio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C17H19N3OS2 MolecularWeight: 345.48226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H19N3OS2/c1-12-6-7-13(2)14(11-12)21-8-4-10-23-17-18-16(19-20-17)15-5-3-9-22-15/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,18,19,20)