2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethyl-1-piperidyl)propan-1-one CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(2-ethyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-1-(2-ethylpiperidino)propan-1-one Formula: C18H24BrN5OS MolecularWeight: 438.38506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H24BrN5OS/c1-3-13-8-6-7-11-23(13)17(25)12(2)26-18-22-21-16(24(18)20)14-9-4-5-10-15(14)19/h4-5,9-10,12-13H,3,6-8,11,20H2,1-2H3