(2R)-N-(1-adamantyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NNC(=O)N4CCC5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NNC(=O)N4CCC5=CC=CC=C5

InChI

InChI=1S/C23H30N4O2S/c1-15(20(28)24-23-12-17-9-18(13-23)11-19(10-17)14-23)30-22-26-25-21(29)27(22)8-7-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3,(H,24,28)(H,25,29)/t15-,17?,18?,19?,23?/m1/s1