4-(4-chlorophenyl)sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O3S2/c1-2-11-23-17-10-7-15(24(26)27)13-18(17)29-20(23)22-19(25)4-3-12-28-16-8-5-14(21)6-9-16/h1,5-10,13H,3-4,11-12H2