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

Systemtic Name: 5-(4-bromophenyl)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]-2-furamide Formula: C27H22BrN5O3S MolecularWeight: 576.46428

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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=C(C=C5)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C27H22BrN5O3S/c1-3-35-20-10-8-19(9-11-20)33-31-22-14-16(2)21(15-23(22)32-33)29-27(37)30-26(34)25-13-12-24(36-25)17-4-6-18(28)7-5-17/h4-15H,3H2,1-2H3,(H2,29,30,34,37)