3-chloranyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzothiophene-2-carboxamide Formula: C19H10ClN3O3S2 MolecularWeight: 427.884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H10ClN3O3S2/c1-2-9-22-13-8-7-11(23(25)26)10-15(13)28-19(22)21-18(24)17-16(20)12-5-3-4-6-14(12)27-17/h1,3-8,10H,9H2