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

Systemtic Name: 4-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]-4-chloro-benzamide CAS Name: N-[2-[5-[(3-anilino-3-oxopropyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-chlorobenzamide IUPAC Name: N-[2-[5-(3-anilino-3-oxopropyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-chlorobenzamide Traditional Name: N-[2-[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2S/c1-27-18(11-13-23-20(29)15-7-9-16(22)10-8-15)25-26-21(27)30-14-12-19(28)24-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,23,29)(H,24,28)