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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-5-cyclopentyl-1H-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]-5-cyclopentyl-1H-1,2,4-triazole Formula: C15H18ClN3OS MolecularWeight: 323.84092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C15H18ClN3OS/c1-20-13-7-6-12(16)8-11(13)9-21-15-17-14(18-19-15)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,17,18,19)