2-(4-chlorophenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[(4-chlorophenyl)thio]-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H12ClN3O3S2 MolecularWeight: 417.88918

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H12ClN3O3S2/c1-2-9-21-15-10-13(22(24)25)5-8-16(15)27-18(21)20-17(23)11-26-14-6-3-12(19)4-7-14/h1,3-8,10H,9,11H2