2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)propanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-3-pyrazolyl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methylpyrazol-3-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-pyrazol-3-yl)propionamide Formula: C18H20N8OS MolecularWeight: 396.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=NN1C)C#N)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=C(C=NN1C)C#N)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C18H20N8OS/c1-12(16(27)22-15-14(10-19)11-21-25(15)2)26-17(20)23-24-18(26)28-9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-9H2,1-2H3,(H2,20,23)(H,22,27)