3-[4-cyclopropyl-5-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]-1,2,4-triazol-3-yl]propionamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)CCC(=O)N

InChI

InChI=1S/C22H23N5O3S/c23-19(28)12-13-20-25-26-22(27(20)16-8-9-16)31-14-21(29)24-15-6-10-18(11-7-15)30-17-4-2-1-3-5-17/h1-7,10-11,16H,8-9,12-14H2,(H2,23,28)(H,24,29)