(2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(3-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: (2S)-N-(3-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: (2S)-N-(3-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: (2S)-N-(3-acetylphenyl)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NNC(=N3)N

InChI

InChI=1S/C18H17N5O2S/c1-11(24)13-8-5-9-14(10-13)20-16(25)15(12-6-3-2-4-7-12)26-18-21-17(19)22-23-18/h2-10,15H,1H3,(H,20,25)(H3,19,21,22,23)/t15-/m0/s1