3-[4-cyclopropyl-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[(2-phenoxyphenyl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(2-phenoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(2-phenoxybenzyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=CC=C3OC4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=CC=C3OC4=CC=CC=C4)CCC(=O)N

InChI

InChI=1S/C21H22N4O2S/c22-19(26)12-13-20-23-24-21(25(20)16-10-11-16)28-14-15-6-4-5-9-18(15)27-17-7-2-1-3-8-17/h1-9,16H,10-14H2,(H2,22,26)