N-(1-adamantyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N4O2S/c1-33-23-9-5-6-21(13-23)25-29-30-26(31(25)22-7-3-2-4-8-22)34-17-24(32)28-27-14-18-10-19(15-27)12-20(11-18)16-27/h2-9,13,18-20H,10-12,14-17H2,1H3,(H,28,32)