3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]coumarilamide Formula: C23H17N5O2S MolecularWeight: 427.47838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C23H17N5O2S/c1-14-17-9-5-6-10-20(17)30-21(14)22(29)25-23(31)24-15-11-12-18-19(13-15)27-28(26-18)16-7-3-2-4-8-16/h2-13H,1H3,(H2,24,25,29,31)