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

Systemtic Name: 5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-N-[(3-phenoxyanilino)-sulfanylidenemethyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: 5-methyl-N-[(3-phenoxyphenyl)carbamothioyl]-2-phenyltriazole-4-carboxamide Traditional Name: 5-methyl-N-[(3-phenoxyphenyl)thiocarbamoyl]-2-phenyl-triazole-4-carboxamide Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC(=S)NC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NC(=S)NC2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N5O2S/c1-16-21(27-28(26-16)18-10-4-2-5-11-18)22(29)25-23(31)24-17-9-8-14-20(15-17)30-19-12-6-3-7-13-19/h2-15H,1H3,(H2,24,25,29,31)