N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-2-furamide Formula: C25H18N6O4S MolecularWeight: 498.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H18N6O4S/c1-15-5-8-18(9-6-15)30-28-20-10-7-17(14-21(20)29-30)26-25(36)27-24(32)23-12-11-22(35-23)16-3-2-4-19(13-16)31(33)34/h2-14H,1H3,(H2,26,27,32,36)