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

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)propanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)propanamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)propanamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(3-cyano-4,5-dimethyl-2-thienyl)propionamide Formula: C20H22N6OS2 MolecularWeight: 426.55828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C20H22N6OS2/c1-12-14(3)29-18(16(12)11-21)23-17(27)13(2)26-19(22)24-25-20(26)28-10-9-15-7-5-4-6-8-15/h4-8,13H,9-10H2,1-3H3,(H2,22,24)(H,23,27)