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

Systemtic Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C24H15ClN6O4S MolecularWeight: 518.9317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H15ClN6O4S/c25-15-4-7-17(8-5-15)30-28-19-9-6-16(13-20(19)29-30)26-24(36)27-23(32)22-11-10-21(35-22)14-2-1-3-18(12-14)31(33)34/h1-13H,(H2,26,27,32,36)