4-tert-butyl-N-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide CAS Name: 4-tert-butyl-N-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C25H28N4O2S/c1-25(2,3)19-13-11-18(12-14-19)23(31)26-21(30)15-16-32-24-28-27-22(17-9-10-17)29(24)20-7-5-4-6-8-20/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,26,30,31)