N-(1-adamantyl)-2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H33N5OS MolecularWeight: 403.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4N)C5CCCCC5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4N)C5CCCCC5

InChI

InChI=1S/C21H33N5OS/c1-13(28-20-25-24-18(26(20)22)17-5-3-2-4-6-17)19(27)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-17H,2-12,22H2,1H3,(H,23,27)