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

Systemtic Name: N-[3-[3-cyclopropyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-cyclopropyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-(2-phenoxyethylthio)-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-cyclopropyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-cyclopropyl-5-(2-phenoxyethylthio)-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCCOC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H22N4O2S/c1-15(26)22-17-6-5-7-18(14-17)25-20(16-10-11-16)23-24-21(25)28-13-12-27-19-8-3-2-4-9-19/h2-9,14,16H,10-13H2,1H3,(H,22,26)