(2R)-2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[[4-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2R)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-2-[[4-amino-5-(phenylmethylthio)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2R)-2-[(4-amino-5-benzylsulfanyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2R)-2-[[4-amino-5-(benzylthio)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)SCC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)SC3=NN=C(N3N)SCC4=CC=CC=C4

InChI

InChI=1S/C20H21N5OS2/c21-25-19(27-13-14-7-3-1-4-8-14)23-24-20(25)28-17(15-9-5-2-6-10-15)18(26)22-16-11-12-16/h1-10,16-17H,11-13,21H2,(H,22,26)/t17-/m1/s1