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

Systemtic Name: 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C18H16ClN3O2S/c1-12-20-21-18(22(12)14-5-3-2-4-6-14)25-11-13-9-15(19)17-16(10-13)23-7-8-24-17/h2-6,9-10H,7-8,11H2,1H3