2-(4-chlorophenyl)sulfanyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-5-nitro-benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-methyl-5-(1-methyl-2-imidazolyl)-2-thiazolyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]-5-nitro-benzamide Formula: C21H16ClN5O3S2 MolecularWeight: 485.96644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C4=NC=CN4C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C4=NC=CN4C

InChI

InChI=1S/C21H16ClN5O3S2/c1-12-18(19-23-9-10-26(19)2)32-21(24-12)25-20(28)16-11-14(27(29)30)5-8-17(16)31-15-6-3-13(22)4-7-15/h3-11H,1-2H3,(H,24,25,28)