2-chloranyl-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-chloro-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-chloro-N-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-chloro-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-chloro-N-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H14ClN3O3S2 MolecularWeight: 455.93716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H14ClN3O3S2/c22-17-4-2-1-3-16(17)20(26)23-14-7-10-18-19(11-14)30-21(24-18)29-12-13-5-8-15(9-6-13)25(27)28/h1-11H,12H2,(H,23,26)