3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]-5-(2-cyclopentylethyl)-1H-1,2,4-triazole Formula: C17H22ClN3OS MolecularWeight: 351.89408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C17H22ClN3OS/c1-22-15-8-7-14(18)10-13(15)11-23-17-19-16(20-21-17)9-6-12-4-2-3-5-12/h7-8,10,12H,2-6,9,11H2,1H3,(H,19,20,21)