3-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3CCCO3)SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H23N5OS/c20-11-14-4-1-5-15(10-14)13-26-19-23-22-18(17-7-2-8-21-17)24(19)12-16-6-3-9-25-16/h1,4-5,10,16-17,21H,2-3,6-9,12-13H2