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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-acetamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CC3

InChI

InChI=1S/C20H26N4OS/c1-5-12-24-18(14-6-8-15(9-7-14)20(2,3)4)22-23-19(24)26-13-17(25)21-16-10-11-16/h5-9,16H,1,10-13H2,2-4H3,(H,21,25)