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

Systemtic Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N4O2S/c1-3-9-29-23(25-13-17-10-18(14-25)12-19(11-17)15-25)27-28-24(29)32-16-22(30)26-20-5-7-21(8-6-20)31-4-2/h3,5-8,17-19H,1,4,9-16H2,2H3,(H,26,30)