(2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-butanamide

Systemtic Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-butanamide Openeye Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-butanamide CAS Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenylbutanamide IUPAC Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylbutanamide Traditional Name: (2S)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenyl-butyramide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=CC=C1)SC2=NN=C(N2CC)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-3-17(19(25)21-16-13-9-6-10-14-16)26-20-23-22-18(24(20)4-2)15-11-7-5-8-12-15/h5-14,17H,3-4H2,1-2H3,(H,21,25)/t17-/m0/s1