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

Systemtic Name: 3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C(=C4)Cl)OCCO5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C(=C4)Cl)OCCO5

InChI

InChI=1S/C20H18ClN3O2S/c21-16-10-13(11-17-18(16)26-9-8-25-17)12-27-20-23-22-19(14-6-7-14)24(20)15-4-2-1-3-5-15/h1-5,10-11,14H,6-9,12H2