5-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(2-cyclopropyl-4-quinazolinyl)thio]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(2-cyclopropylquinazolin-4-yl)thio]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C22H19N5O2S2/c1-29-15-10-8-14(9-11-15)23-20(28)22-27-26-18(31-22)12-30-21-16-4-2-3-5-17(16)24-19(25-21)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,23,28)