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

Systemtic Name: N-[3-(3-cyclopropyl-5-phenacylsulfanyl-1,2,4-triazol-4-yl)phenyl]ethanamide Openeye Name: N-[3-(3-cyclopropyl-5-phenacylsulfanyl-1,2,4-triazol-4-yl)phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-(phenacylthio)-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-(3-cyclopropyl-5-phenacylsulfanyl-1,2,4-triazol-4-yl)phenyl]acetamide Traditional Name: N-[3-[3-cyclopropyl-5-(phenacylthio)-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H20N4O2S/c1-14(26)22-17-8-5-9-18(12-17)25-20(16-10-11-16)23-24-21(25)28-13-19(27)15-6-3-2-4-7-15/h2-9,12,16H,10-11,13H2,1H3,(H,22,26)