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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethyl-4-piperidyl)acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethyl-4-piperidinyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-ethylpiperidin-4-yl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-ethyl-4-piperidyl)acetamide Formula: C17H23BrN6OS MolecularWeight: 439.37312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CCN1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C17H23BrN6OS/c1-2-23-9-7-12(8-10-23)20-15(25)11-26-17-22-21-16(24(17)19)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11,19H2,1H3,(H,20,25)