4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyanophenyl)-3-nitro-benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyanophenyl)-3-nitro-benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyanophenyl)-3-nitro-benzamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-cyanophenyl)-3-nitrobenzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyanophenyl)-3-nitrobenzamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-cyanophenyl)-3-nitro-benzamide Formula: C21H12N4O3S2 MolecularWeight: 432.47498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O3S2/c22-12-13-4-3-5-15(10-13)23-20(26)14-8-9-19(17(11-14)25(27)28)30-21-24-16-6-1-2-7-18(16)29-21/h1-11H,(H,23,26)