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

Systemtic Name: (2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-benzyloxyphenyl)propanamide CAS Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-benzoxyphenyl)propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=C(N3N)C4CC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C21H23N5O2S/c1-14(29-21-25-24-19(26(21)22)16-7-8-16)20(27)23-17-9-11-18(12-10-17)28-13-15-5-3-2-4-6-15/h2-6,9-12,14,16H,7-8,13,22H2,1H3,(H,23,27)/t14-/m1/s1