N-(5-tert-butyl-2-methoxy-phenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N4O3S/c1-23(2,3)16-8-11-19(30-5)18(14-16)24-20(28)12-13-27-21(25-26-22(27)31)15-6-9-17(29-4)10-7-15/h6-11,14H,12-13H2,1-5H3,(H,24,28)(H,26,31)