2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenylpyrimidin-5-yl)ethanamide

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenylpyrimidin-5-yl)ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenyl-5-pyrimidinyl)acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CN=C(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)NC3=CN=C(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6OS/c1-14-6-5-9-16(10-14)20-25-26-21(29)27(20)13-18(28)24-17-11-22-19(23-12-17)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,24,28)(H,26,29)