(2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N,N-dimethyl-2-phenylacetamide IUPAC Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide Traditional Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N,N-dimethyl-2-phenyl-acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H22N4OS/c1-24(2)20(26)18(15-9-5-3-6-10-15)27-21-23-22-19(16-13-14-16)25(21)17-11-7-4-8-12-17/h3-12,16,18H,13-14H2,1-2H3/t18-/m0/s1