3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C20H17N5O2S2 MolecularWeight: 423.51128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H17N5O2S2/c26-17(11-10-16-21-15-9-5-4-8-14(15)18(27)22-16)23-19-24-25-20(29-19)28-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22,27)(H,23,24,26)