N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-phenyl-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-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenyl-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-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C26H28N6OS MolecularWeight: 472.60512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N6OS/c1-5-16-31-24(19-12-8-6-9-13-19)28-29-25(31)34-18-23(33)27-22-17-21(26(2,3)4)30-32(22)20-14-10-7-11-15-20/h5-15,17H,1,16,18H2,2-4H3,(H,27,33)