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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CC34CC5CC(C3)CC(C5)C4

InChI

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