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

Systemtic Name: 5-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-N-benzyl-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-N-(phenylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-benzyl-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-benzyl-1,3,4-thiadiazole-2-carboxamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(S3)C(=O)NCC4=CC=CC=C4

InChI

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