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

Systemtic Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C27H22N6O5S MolecularWeight: 542.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])C

InChI

InChI=1S/C27H22N6O5S/c1-3-37-18-10-8-17(9-11-18)32-30-21-14-16(2)20(15-22(21)31-32)28-27(39)29-26(34)25-13-12-24(38-25)19-6-4-5-7-23(19)33(35)36/h4-15H,3H2,1-2H3,(H2,28,29,34,39)