(2S)-N-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2S)-N-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C15H22N4OS MolecularWeight: 306.42638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NN4

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NN4

InChI

InChI=1S/C15H22N4OS/c1-9(21-14-16-8-17-19-14)13(20)18-15-5-10-2-11(6-15)4-12(3-10)7-15/h8-12H,2-7H2,1H3,(H,18,20)(H,16,17,19)/t9-,10?,11?,12?,15?/m0/s1