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

Systemtic Name: N-(2-adamantyl)-2-[[4-azanyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-adamantyl)-2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H24BrN5OS MolecularWeight: 462.40646

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NN=C(N4N)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NN=C(N4N)C5=CC=C(C=C5)Br

InChI

InChI=1S/C20H24BrN5OS/c21-16-3-1-13(2-4-16)19-24-25-20(26(19)22)28-10-17(27)23-18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15,18H,5-10,22H2,(H,23,27)