2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(5-tert-butyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-tert-butyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H23N7OS2 MolecularWeight: 453.58362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N7OS2/c1-21(2,3)16-12-17(28(26-16)14-8-5-4-6-9-14)23-18(29)13-31-20-25-24-19(27(20)22)15-10-7-11-30-15/h4-12H,13,22H2,1-3H3,(H,23,29)