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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitro-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C22H14N4O3S2 MolecularWeight: 446.50156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H14N4O3S2/c23-12-15-3-1-2-4-16(15)13-30-22-25-19-10-7-17(11-20(19)31-22)24-21(27)14-5-8-18(9-6-14)26(28)29/h1-11H,13H2,(H,24,27)