2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)butanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)butanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)butanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)butanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-dimethyl-2-thienyl)butyramide Formula: C21H24N6OS2 MolecularWeight: 440.58486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C#N)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C#N)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H24N6OS2/c1-4-17(18(28)24-19-16(12-22)13(2)14(3)30-19)27-20(23)25-26-21(27)29-11-10-15-8-6-5-7-9-15/h5-9,17H,4,10-11H2,1-3H3,(H2,23,25)(H,24,28)