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

Systemtic Name: (2R)-2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2R)-2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCC(CC1)CCC2=NN=C(N2N)S[C@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C21H29N5OS/c22-26-18(14-11-15-7-3-1-4-8-15)24-25-21(26)28-19(16-9-5-2-6-10-16)20(27)23-17-12-13-17/h2,5-6,9-10,15,17,19H,1,3-4,7-8,11-14,22H2,(H,23,27)/t19-/m1/s1