3-[4-cyclopropyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-(8-quinolylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-(8-quinolinylmethylthio)-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-(8-quinolylmethylthio)-1,2,4-triazol-3-yl]propionamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)CCC(=O)N

InChI

InChI=1S/C18H19N5OS/c19-15(24)8-9-16-21-22-18(23(16)14-6-7-14)25-11-13-4-1-3-12-5-2-10-20-17(12)13/h1-5,10,14H,6-9,11H2,(H2,19,24)