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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C27H28N4OS MolecularWeight: 456.60242

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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)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H28N4OS/c1-5-17-31-25(20-13-15-21(16-14-20)27(2,3)4)29-30-26(31)33-18-24(32)28-23-12-8-10-19-9-6-7-11-22(19)23/h5-16H,1,17-18H2,2-4H3,(H,28,32)