(2R)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2R)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: (2R)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2R)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2R)-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C20H20N4O3S/c1-13(28-20-23-22-19(26)24(20)15-9-10-15)18(25)21-14-7-11-17(12-8-14)27-16-5-3-2-4-6-16/h2-8,11-13,15H,9-10H2,1H3,(H,21,25)(H,22,26)/t13-/m1/s1