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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-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=C5C(=CC(=C4)Cl)COCO5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)Cl)COCO5

InChI

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