3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H20ClN3O2S/c18-13-7-12(8-14-16(13)23-10-22-14)9-24-17-19-15(20-21-17)6-5-11-3-1-2-4-11/h7-8,11H,1-6,9-10H2,(H,19,20,21)