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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)Cl)COCO4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)Cl)COCO4)CC5=CC=CS5

InChI

InChI=1S/C19H18ClN3O2S2/c20-14-6-12-9-24-11-25-18(12)13(7-14)10-27-19-22-21-17(23(19)15-3-4-15)8-16-2-1-5-26-16/h1-2,5-7,15H,3-4,8-11H2