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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)propanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-3-pyrazolyl)propanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenylpyrazol-3-yl)propanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)propionamide Formula: C17H18N8OS MolecularWeight: 382.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C(C)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N)N

Isomeric SMILES

CCSC1=NN=C(N1C(C)C(=O)NC2=C(C=NN2C3=CC=CC=C3)C#N)N

InChI

InChI=1S/C17H18N8OS/c1-3-27-17-23-22-16(19)24(17)11(2)15(26)21-14-12(9-18)10-20-25(14)13-7-5-4-6-8-13/h4-8,10-11H,3H2,1-2H3,(H2,19,22)(H,21,26)