2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-pyrazol-3-yl)butanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-pyrazol-3-yl)butanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)butanamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-3-pyrazolyl)butanamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-cyano-2-methylpyrazol-3-yl)butanamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-cyano-2-methyl-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=NN1C)C#N)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C#N)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C18H20N8OS/c1-3-14(16(27)22-15-13(9-19)10-21-25(15)2)26-17(20)23-24-18(26)28-11-12-7-5-4-6-8-12/h4-8,10,14H,3,11H2,1-2H3,(H2,20,23)(H,22,27)