3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)Cl)OC1

InChI

InChI=1S/C21H20ClN3O2S/c22-17-11-14(12-18-19(17)27-10-4-9-26-18)13-28-21-24-23-20(15-7-8-15)25(21)16-5-2-1-3-6-16/h1-3,5-6,11-12,15H,4,7-10,13H2