3-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-(m-tolylmethylsulfanyl)-5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3-methylphenyl)methylthio]-4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(3-methylbenzyl)thio]-5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC3CCCO3)C4CCCN4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC3CCCO3)C4CCCN4

InChI

InChI=1S/C19H26N4OS/c1-14-5-2-6-15(11-14)13-25-19-22-21-18(17-8-3-9-20-17)23(19)12-16-7-4-10-24-16/h2,5-6,11,16-17,20H,3-4,7-10,12-13H2,1H3