2-[3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-5-(3-methylphenyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-5-(3-methylphenyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[(2,6-dimethyl-4-pyrimidinyl)thio]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-(2,6-dimethylpyrimidin-4-yl)sulfanyl-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[(2,6-dimethylpyrimidin-4-yl)thio]-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SC3=NC(=NC(=C3)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SC3=NC(=NC(=C3)C)C

InChI

InChI=1S/C17H18N6OS/c1-10-5-4-6-13(7-10)16-21-22-17(23(16)9-14(18)24)25-15-8-11(2)19-12(3)20-15/h4-8H,9H2,1-3H3,(H2,18,24)