N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[5-(1-adamantyl)-2-bromo-phenyl]-2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[5-(1-adamantyl)-2-bromophenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[5-(1-adamantyl)-2-bromophenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[5-(1-adamantyl)-2-bromo-phenyl]-2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H29BrN4OS2 MolecularWeight: 569.57936

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)Br)C6=CC=CS6

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)Br)C6=CC=CS6

InChI

InChI=1S/C27H29BrN4OS2/c1-2-7-32-25(23-4-3-8-34-23)30-31-26(32)35-16-24(33)29-22-12-20(5-6-21(22)28)27-13-17-9-18(14-27)11-19(10-17)15-27/h2-6,8,12,17-19H,1,7,9-11,13-16H2,(H,29,33)