3-chloranyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H16ClN5OS2 MolecularWeight: 477.98904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5

InChI

InChI=1S/C23H16ClN5OS2/c1-13-11-17-18(28-29(27-17)14-7-3-2-4-8-14)12-16(13)25-23(31)26-22(30)21-20(24)15-9-5-6-10-19(15)32-21/h2-12H,1H3,(H2,25,26,30,31)