N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H17N5OS2 MolecularWeight: 407.51188

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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=CC=CS4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CS4)C

InChI

InChI=1S/C20H17N5OS2/c1-12-5-7-14(8-6-12)25-23-16-10-13(2)15(11-17(16)24-25)21-20(27)22-19(26)18-4-3-9-28-18/h3-11H,1-2H3,(H2,21,22,26,27)