3-[4-(oxolan-2-ylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(oxolan-2-ylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-benzylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-oxolanylmethyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-benzylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(benzylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propionamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C17H22N4O2S/c18-15(22)8-9-16-19-20-17(21(16)11-14-7-4-10-23-14)24-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,18,22)