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

Systemtic Name: (2S)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-N-(p-tolyl)acetamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C22H20N6OS/c1-15-9-11-18(12-10-15)25-21(29)19(16-6-3-2-4-7-16)30-22-27-26-20(28(22)23)17-8-5-13-24-14-17/h2-14,19H,23H2,1H3,(H,25,29)/t19-/m0/s1