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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexylmethyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexylmethyl)propionamide Formula: C18H24BrN5OS MolecularWeight: 438.38506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H24BrN5OS/c1-12(17(25)21-11-13-7-3-2-4-8-13)26-18-23-22-16(24(18)20)14-9-5-6-10-15(14)19/h5-6,9-10,12-13H,2-4,7-8,11,20H2,1H3,(H,21,25)