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

Systemtic Name: (2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3N)C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C20H21N5O2S/c1-13(28-20-24-23-18(25(20)21)14-7-8-14)19(26)22-15-9-11-17(12-10-15)27-16-5-3-2-4-6-16/h2-6,9-14H,7-8,21H2,1H3,(H,22,26)/t13-/m1/s1