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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethyl-furan-2-yl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethyl-2-furyl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-dimethyl-2-furanyl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-dimethyl-2-furyl)acetamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)CN2C(=NN=C2SCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C19H20N6O2S/c1-12-13(2)27-17(15(12)10-20)22-16(26)11-25-18(21)23-24-19(25)28-9-8-14-6-4-3-5-7-14/h3-7H,8-9,11H2,1-2H3,(H2,21,23)(H,22,26)