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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-4-methyl-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-4-methyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=C(N2C)C3CCCN3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=C(N2C)C3CCCN3)C

InChI

InChI=1S/C16H22N4S/c1-11-7-12(2)9-13(8-11)10-21-16-19-18-15(20(16)3)14-5-4-6-17-14/h7-9,14,17H,4-6,10H2,1-3H3