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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C17H22BrN5OS/c1-11(16(24)20-12-7-3-2-4-8-12)25-17-22-21-15(23(17)19)13-9-5-6-10-14(13)18/h5-6,9-12H,2-4,7-8,19H2,1H3,(H,20,24)