5-(3,4-dimethylphenyl)-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-furamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C27H23N5O3S/c1-16-4-5-18(14-17(16)2)24-12-13-25(35-24)26(33)29-27(36)28-19-6-11-22-23(15-19)31-32(30-22)20-7-9-21(34-3)10-8-20/h4-15H,1-3H3,(H2,28,29,33,36)