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

Systemtic Name: N-(4-methylphenyl)-5-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methylphenyl)-5-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methylphenyl)-5-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C

InChI

InChI=1S/C22H21N5O2S2/c1-13(2)27-21(29)16-6-4-5-7-17(16)24-22(27)30-12-18-25-26-20(31-18)19(28)23-15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3,(H,23,28)