4-methyl-3-(phenylmethylsulfanyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(phenylmethylsulfanyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole CAS Name: 4-methyl-3-(phenylmethylthio)-5-[(2R)-2-pyrrolidinyl]-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole Formula: C14H18N4S MolecularWeight: 274.38452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3CCCN3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)[C@H]3CCCN3

InChI

InChI=1S/C14H18N4S/c1-18-13(12-8-5-9-15-12)16-17-14(18)19-10-11-6-3-2-4-7-11/h2-4,6-7,12,15H,5,8-10H2,1H3/t12-/m1/s1