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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C20H19N7OS MolecularWeight: 405.47616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NN=CN3N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NN=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C20H19N7OS/c1-14-7-9-15(10-8-14)17-11-18(27(25-17)16-5-3-2-4-6-16)23-19(28)12-29-20-24-22-13-26(20)21/h2-11,13H,12,21H2,1H3,(H,23,28)