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

Systemtic Name: (2R)-N-(1-adamantyl)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H27N5OS MolecularWeight: 361.50488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4N)C5CC5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4N)C5CC5

InChI

InChI=1S/C18H27N5OS/c1-10(25-17-22-21-15(23(17)19)14-2-3-14)16(24)20-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,2-9,19H2,1H3,(H,20,24)/t10-,11?,12?,13?,18?/m1/s1