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

Systemtic Name: 3-[4-(oxolan-2-ylmethyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2-phenoxyethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-oxolanylmethyl)-5-(2-phenoxyethylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(oxolan-2-ylmethyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(2-phenoxyethylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propionamide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCOC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCCOC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C18H24N4O3S/c19-16(23)8-9-17-20-21-18(22(17)13-15-7-4-10-24-15)26-12-11-25-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,19,23)