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

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[5-(1-adamantylmethyl)-4-allyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N4O2S/c1-3-8-30-23(15-26-12-18-9-19(13-26)11-20(10-18)14-26)28-29-25(30)33-16-24(32)27-22-6-4-21(5-7-22)17(2)31/h3-7,18-20H,1,8-16H2,2H3,(H,27,32)