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

Systemtic Name: (2S)-N,N-diethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: (2S)-N,N-diethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N,N-diethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N,N-diethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N,N-diethyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-4-25(5-2)20(26)18(16-12-8-6-9-13-16)27-21-23-22-19(24(21)3)17-14-10-7-11-15-17/h6-15,18H,4-5H2,1-3H3/t18-/m0/s1