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

Systemtic Name: 3-[5-(naphthalen-1-ylmethylsulfanyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(1-naphthylmethylsulfanyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-(1-naphthalenylmethylthio)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-(naphthalen-1-ylmethylsulfanyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-(1-naphthylmethylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CCC(=O)N

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CCC(=O)N

InChI

InChI=1S/C21H24N4O2S/c22-19(26)10-11-20-23-24-21(25(20)13-17-8-4-12-27-17)28-14-16-7-3-6-15-5-1-2-9-18(15)16/h1-3,5-7,9,17H,4,8,10-14H2,(H2,22,26)