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

Systemtic Name: N-(1-adamantyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-methyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N2C=CC=C2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1N2C=CC=C2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H25N5OS/c1-13-21-22-18(24(13)23-4-2-3-5-23)26-12-17(25)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,25)