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

Systemtic Name: N-(1-adamantylmethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

InChI

InChI=1S/C23H29N5OS/c29-20(25-14-23-10-15-7-16(11-23)9-17(8-15)12-23)13-30-22-27-26-21(28(22)19-1-2-19)18-3-5-24-6-4-18/h3-6,15-17,19H,1-2,7-14H2,(H,25,29)