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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)C

InChI

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