2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenylthiazol-2-yl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-phenyl-2-thiazolyl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-phenylthiazol-2-yl)propionamide Formula: C22H22N6OS2 MolecularWeight: 450.57968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)N3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H22N6OS2/c1-15(19(29)25-21-24-18(14-31-21)17-10-6-3-7-11-17)28-20(23)26-27-22(28)30-13-12-16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3,(H2,23,26)(H,24,25,29)