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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenyl-pyrazol-3-yl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-3-pyrazolyl)butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-phenylpyrazol-3-yl)butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-phenyl-pyrazol-3-yl)butyramide Formula: C18H20N8OS MolecularWeight: 396.4694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)N3C(=NN=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)N3C(=NN=C3SCC)N

InChI

InChI=1S/C18H20N8OS/c1-3-14(25-17(20)23-24-18(25)28-4-2)16(27)22-15-12(10-19)11-21-26(15)13-8-6-5-7-9-13/h5-9,11,14H,3-4H2,1-2H3,(H2,20,23)(H,22,27)