3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-(2-thienyl)-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-thiophen-2-yl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-(2-thienyl)-1H-1,2,4-triazole Formula: C15H12ClN3O2S2 MolecularWeight: 365.85768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C15H12ClN3O2S2/c16-10-6-9(7-11-13(10)21-4-3-20-11)8-23-15-17-14(18-19-15)12-2-1-5-22-12/h1-2,5-7H,3-4,8H2,(H,17,18,19)