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

Systemtic Name: 4-chloranyl-N-[1-[4-methyl-5-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[5-(3-anilino-3-oxo-propyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-chloro-benzamide CAS Name: N-[1-[5-[(3-anilino-3-oxopropyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-chlorobenzamide IUPAC Name: N-[1-[5-(3-anilino-3-oxopropyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-chlorobenzamide Traditional Name: N-[1-[5-[(3-anilino-3-keto-propyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-chloro-benzamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCCC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1=NN=C(N1C)SCCC(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN5O2S/c1-14(23-20(29)15-8-10-16(22)11-9-15)19-25-26-21(27(19)2)30-13-12-18(28)24-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,29)(H,24,28)