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

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(4-bromophenyl)propionamide Formula: C17H22BrN5OS MolecularWeight: 424.35848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C17H22BrN5OS/c1-11(16(24)20-14-9-7-13(18)8-10-14)25-17-22-21-15(23(17)19)12-5-3-2-4-6-12/h7-12H,2-6,19H2,1H3,(H,20,24)