N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[[(5E)-5-(2-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NN/C(=C/3\C=C4C=CC=CC4=N3)/N2C5=CC=CC=C5

InChI

InChI=1S/C25H24N6O2S/c1-25(2,3)20-14-22(33-30-20)27-21(32)15-34-24-29-28-23(31(24)17-10-5-4-6-11-17)19-13-16-9-7-8-12-18(16)26-19/h4-14,28H,15H2,1-3H3,(H,27,32)/b23-19-