5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-2-phenyl-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-4-triazolecarboxamide IUPAC Name: 5-methyl-2-phenyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]triazole-4-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O2S/c1-17-22(28-29(27-17)20-12-6-3-7-13-20)23(30)26-24(32)25-19-11-8-14-21(15-19)31-16-18-9-4-2-5-10-18/h2-15H,16H2,1H3,(H2,25,26,30,32)