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

Systemtic Name: N-(1-adamantyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-ethyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H27N5OS/c1-2-17-22-23-19(25(17)24-5-3-4-6-24)27-13-18(26)21-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,2,7-13H2,1H3,(H,21,26)