N-ethyl-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide

Systemtic Name: N-ethyl-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]ethanamide Openeye Name: N-ethyl-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide CAS Name: N-ethyl-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide IUPAC Name: N-ethyl-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-oxo-1H-quinazolin-2-yl)methyl]acetamide Traditional Name: N-ethyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N6O3S/c1-3-27(12-18-23-17-7-5-4-6-16(17)21(30)24-18)19(29)13-28-20(25-26-22(28)32)14-8-10-15(31-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,26,32)(H,23,24,30)