N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-benzyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C24H17N3O3S MolecularWeight: 427.47508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17N3O3S/c1-2-14-26-21-13-12-20(27(29)30)16-22(21)31-24(26)25-23(28)19-10-8-18(9-11-19)15-17-6-4-3-5-7-17/h1,3-13,16H,14-15H2