3,6-bis(chloranyl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H17Cl2N5OS2 MolecularWeight: 526.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C24H17Cl2N5OS2/c1-12-3-6-15(7-4-12)31-29-18-9-13(2)17(11-19(18)30-31)27-24(33)28-23(32)22-21(26)16-8-5-14(25)10-20(16)34-22/h3-11H,1-2H3,(H2,27,28,32,33)