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

Systemtic Name: 3,4-bis(chloranyl)-N-[2-[4-methyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[2-[5-(3-anilino-3-oxo-propyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide CAS Name: N-[2-[5-[(3-anilino-3-oxopropyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide IUPAC Name: N-[2-[5-(3-anilino-3-oxopropyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide Traditional Name: N-[2-[5-[(3-anilino-3-keto-propyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide Formula: C21H21Cl2N5O2S MolecularWeight: 478.39474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N5O2S/c1-28-18(9-11-24-20(30)14-7-8-16(22)17(23)13-14)26-27-21(28)31-12-10-19(29)25-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,24,30)(H,25,29)