2-[[4-azanyl-5-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-amino-5-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-amino-5-[[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-amino-5-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-amino-5-[[(1S)-2-keto-1-phenyl-2-piperidino-ethyl]thio]-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C21H30N6O2S2 MolecularWeight: 462.6319

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1N)SC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1N)S[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C21H30N6O2S2/c1-3-25(4-2)17(28)15-30-20-23-24-21(27(20)22)31-18(16-11-7-5-8-12-16)19(29)26-13-9-6-10-14-26/h5,7-8,11-12,18H,3-4,6,9-10,13-15,22H2,1-2H3/t18-/m0/s1