N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C25H17ClN6O4S MolecularWeight: 532.95828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H17ClN6O4S/c1-14-12-19-20(30-31(29-19)16-8-6-15(26)7-9-16)13-18(14)27-25(37)28-24(33)23-11-10-22(36-23)17-4-2-3-5-21(17)32(34)35/h2-13H,1H3,(H2,27,28,33,37)