N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C28H18N6O4S MolecularWeight: 534.54532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=CC=C(O5)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3N=C4C=CC(=CC4=N3)NC(=S)NC(=O)C5=CC=C(O5)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H18N6O4S/c35-27(26-14-13-25(38-26)18-7-3-8-20(15-18)34(36)37)30-28(39)29-19-11-12-22-23(16-19)32-33(31-22)24-10-4-6-17-5-1-2-9-21(17)24/h1-16H,(H2,29,30,35,39)