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

Systemtic Name: 5-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzothiophene-2-carboxamide CAS Name: 5-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzothiophene-2-carboxamide Formula: C19H10N4O5S2 MolecularWeight: 438.4365

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H10N4O5S2/c1-2-7-21-14-5-3-13(23(27)28)10-16(14)30-19(21)20-18(24)17-9-11-8-12(22(25)26)4-6-15(11)29-17/h1,3-6,8-10H,7H2