N-[(4-methylphenyl)methyl]-5-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-N-(p-tolylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]-N-(4-methylbenzyl)-1,3,4-thiadiazole-2-carboxamide Formula: C23H21N5O2S2 MolecularWeight: 463.57514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C23H21N5O2S2/c1-3-12-28-22(30)17-6-4-5-7-18(17)25-23(28)31-14-19-26-27-21(32-19)20(29)24-13-16-10-8-15(2)9-11-16/h3-11H,1,12-14H2,2H3,(H,24,29)