2-(4-acetamidophenyl)sulfanyl-N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C18H16ClN5O2S/c1-12(25)22-14-3-5-15(6-4-14)27-9-18(26)23-16-8-13(19)2-7-17(16)24-11-20-10-21-24/h2-8,10-11H,9H2,1H3,(H,22,25)(H,23,26)