N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C21H26N6OS/c1-6-12-26-15(2)23-24-20(26)29-14-19(28)22-18-13-17(21(3,4)5)25-27(18)16-10-8-7-9-11-16/h6-11,13H,1,12,14H2,2-5H3,(H,22,28)