N-(1-adamantylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)C

InChI

InChI=1S/C25H33N5O2S/c1-3-7-30-22(20-6-4-5-16(2)8-20)28-29-24(30)33-15-21(31)26-23(32)27-25-12-17-9-18(13-25)11-19(10-17)14-25/h4-6,8,17-19H,3,7,9-15H2,1-2H3,(H2,26,27,31,32)