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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(cyclopentylmethyl)-1H-1,2,4-triazole Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(cyclopentylmethyl)-1H-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(cyclopentylmethyl)-1H-1,2,4-triazole IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(cyclopentylmethyl)-1H-1,2,4-triazole Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(cyclopentylmethyl)-1H-1,2,4-triazole Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC2=NC(=NN2)SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CCC(C1)CC2=NC(=NN2)SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C17H20ClN3O2S/c18-14-6-12-8-22-10-23-16(12)13(7-14)9-24-17-19-15(20-21-17)5-11-3-1-2-4-11/h6-7,11H,1-5,8-10H2,(H,19,20,21)