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

Systemtic Name: N-(1-adamantyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-propyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(5-propyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N5OS/c1-2-5-18-23-24-20(26(18)25-6-3-4-7-25)28-14-19(27)22-21-11-15-8-16(12-21)10-17(9-15)13-21/h3-4,6-7,15-17H,2,5,8-14H2,1H3,(H,22,27)