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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H26N6OS/c1-4-5-9-12-25-14-21-23-20(25)28-13-18(27)22-19-15(2)24-26(16(19)3)17-10-7-6-8-11-17/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3,(H,22,27)