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

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]triazole-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]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=CN(N=N3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H20N6OS/c1-15-12-16(2)24-22(23-15)30-19-10-8-18(9-11-19)25-21(29)20-14-28(27-26-20)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,25,29)