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

Systemtic Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27N5O3S/c1-2-7-27-21(23-11-15-8-16(12-23)10-17(9-15)13-23)25-26-22(27)32-14-20(29)24-18-3-5-19(6-4-18)28(30)31/h2-6,15-17H,1,7-14H2,(H,24,29)