2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thienyl)acetamide Formula: C19H20N6OS2 MolecularWeight: 412.5317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H20N6OS2/c1-19(2,3)14-6-4-12(5-7-14)16-23-24-18(25(16)21)28-11-15(26)22-17-13(10-20)8-9-27-17/h4-9H,11,21H2,1-3H3,(H,22,26)