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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(3-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]-5-(3-chlorophenyl)-2-furamide Formula: C25H17Cl2N5O3S MolecularWeight: 538.40518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)Cl)Cl

InChI

InChI=1S/C25H17Cl2N5O3S/c1-34-22-8-6-17(13-18(22)27)32-30-19-7-5-16(12-20(19)31-32)28-25(36)29-24(33)23-10-9-21(35-23)14-3-2-4-15(26)11-14/h2-13H,1H3,(H2,28,29,33,36)