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

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3-methoxyphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NNC(=N3)N

InChI

InChI=1S/C17H17N5O2S/c1-24-13-9-5-8-12(10-13)19-15(23)14(11-6-3-2-4-7-11)25-17-20-16(18)21-22-17/h2-10,14H,1H3,(H,19,23)(H3,18,20,21,22)/t14-/m0/s1