3-[(3,5-dimethylphenyl)methylsulfanyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-4-ethyl-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-4-ethyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC(=C2)C)C)C3CCCN3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC(=C2)C)C)C3CCCN3

InChI

InChI=1S/C17H24N4S/c1-4-21-16(15-6-5-7-18-15)19-20-17(21)22-11-14-9-12(2)8-13(3)10-14/h8-10,15,18H,4-7,11H2,1-3H3