4-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-bromophenyl)piperidine-1-carboxamide

Systemtic Name: 4-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-bromophenyl)piperidine-1-carboxamide Openeye Name: 4-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-bromophenyl)piperidine-1-carboxamide CAS Name: 4-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2-bromophenyl)-1-piperidinecarboxamide IUPAC Name: 4-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-bromophenyl)piperidine-1-carboxamide Traditional Name: 4-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2-bromophenyl)piperidine-1-carboxamide Formula: C17H21BrN6O2S MolecularWeight: 453.35664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)C2CCN(CC2)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)C2CCN(CC2)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C17H21BrN6O2S/c1-23-15(21-22-17(23)27-10-14(19)25)11-6-8-24(9-7-11)16(26)20-13-5-3-2-4-12(13)18/h2-5,11H,6-10H2,1H3,(H2,19,25)(H,20,26)