2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)acetamide Formula: C21H19N7OS2 MolecularWeight: 449.55186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H19N7OS2/c1-13-14(2)27(15-7-4-3-5-8-15)19(16(13)11-22)24-18(29)12-31-21-26-25-20(28(21)23)17-9-6-10-30-17/h3-10H,12,23H2,1-2H3,(H,24,29)