N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=NN(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=NN(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N6OS/c1-14-13-15(2)24-22(23-14)30-19-11-9-17(10-12-19)25-21(29)20-16(3)26-28(27-20)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,25,29)