N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NN=CN3C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NN=CN3C)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6OS/c1-15-8-10-16(11-9-15)18-12-19(27(25-18)17-6-4-3-5-7-17)23-20(28)13-29-21-24-22-14-26(21)2/h3-12,14H,13H2,1-2H3,(H,23,28)