2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-3-ylacetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H32N4OS/c1-7-14-26-20(16-10-12-17(13-11-16)22(4,5)6)24-25-21(26)28-15-19(27)23-18(8-2)9-3/h7,10-13,18H,1,8-9,14-15H2,2-6H3,(H,23,27)