N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C26H19ClN6O5S MolecularWeight: 562.98426

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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)OC)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)OC)Cl

InChI

InChI=1S/C26H19ClN6O5S/c1-14-11-19-20(31-32(30-19)15-7-8-23(37-2)17(27)12-15)13-18(14)28-26(39)29-25(34)24-10-9-22(38-24)16-5-3-4-6-21(16)33(35)36/h3-13H,1-2H3,(H2,28,29,34,39)