N-(1-adamantylmethyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

InChI

InChI=1S/C23H30N4OS/c1-27-20(10-16-5-3-2-4-6-16)25-26-22(27)29-14-21(28)24-15-23-11-17-7-18(12-23)9-19(8-17)13-23/h2-6,17-19H,7-15H2,1H3,(H,24,28)