(2R)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide

Systemtic Name: (2R)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide Openeye Name: (2R)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)propanamide CAS Name: (2R)-2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)propanamide Traditional Name: (2R)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-phenylphenyl)propionamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)SC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C22H20N6OS/c1-15(30-22-27-26-20(28(22)23)17-10-7-13-24-14-17)21(29)25-19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-15H,23H2,1H3,(H,25,29)/t15-/m1/s1