5-(2-cyclopentylethyl)-3-[(3,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-cyclopentylethyl)-3-[(3,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-cyclopentylethyl)-3-[(3,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-cyclopentylethyl)-3-[(3,5-dimethylphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-cyclopentylethyl)-3-[(3,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-cyclopentylethyl)-3-[(3,5-dimethylbenzyl)thio]-1H-1,2,4-triazole Formula: C18H25N3S MolecularWeight: 315.4762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NNC(=N2)CCC3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NNC(=N2)CCC3CCCC3)C

InChI

InChI=1S/C18H25N3S/c1-13-9-14(2)11-16(10-13)12-22-18-19-17(20-21-18)8-7-15-5-3-4-6-15/h9-11,15H,3-8,12H2,1-2H3,(H,19,20,21)