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

Systemtic Name: 5-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(2-cyclopropyl-4-quinazolinyl)thio]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(2-cyclopropylquinazolin-4-yl)sulfanylmethyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(2-cyclopropylquinazolin-4-yl)thio]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C21H16FN5OS2 MolecularWeight: 437.513043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC4=NN=C(S4)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=N2)SCC4=NN=C(S4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C21H16FN5OS2/c22-13-7-9-14(10-8-13)23-19(28)21-27-26-17(30-21)11-29-20-15-3-1-2-4-16(15)24-18(25-20)12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,23,28)