N-[3-[3-cyclopropyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-cyclopropyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-(3-benzylsulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl)phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-(3-benzylsulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl)phenyl]acetamide Traditional Name: N-[3-[3-(benzylthio)-5-cyclopropyl-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H20N4OS/c1-14(25)21-17-8-5-9-18(12-17)24-19(16-10-11-16)22-23-20(24)26-13-15-6-3-2-4-7-15/h2-9,12,16H,10-11,13H2,1H3,(H,21,25)