N-[(1S)-1-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: N-[(1S)-1-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[(1S)-1-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-isopropyl-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: N-[(1S)-1-[5-[(2-anilino-2-oxoethyl)thio]-4-propan-2-yl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: N-[(1S)-1-[5-(2-anilino-2-oxoethyl)sulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[(1S)-1-[5-[(2-anilino-2-keto-ethyl)thio]-4-isopropyl-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=NN=C(N1C(C)C)SCC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-15(2)27-20(16(3)23-21(29)17-10-6-4-7-11-17)25-26-22(27)30-14-19(28)24-18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3,(H,23,29)(H,24,28)/t16-/m0/s1