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

Systemtic Name: N-(1-adamantyl)-2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H26BrN5OS MolecularWeight: 476.43304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4N)C5=CC=CC=C5Br

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4N)C5=CC=CC=C5Br

InChI

InChI=1S/C21H26BrN5OS/c1-12(19(28)24-21-9-13-6-14(10-21)8-15(7-13)11-21)29-20-26-25-18(27(20)23)16-4-2-3-5-17(16)22/h2-5,12-15H,6-11,23H2,1H3,(H,24,28)