N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C21H16N6O2S2 MolecularWeight: 448.52074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H16N6O2S2/c22-11-14-5-7-15(8-6-14)12-30-21-26-25-20(31-21)24-18(28)9-10-27-13-23-17-4-2-1-3-16(17)19(27)29/h1-8,13H,9-10,12H2,(H,24,25,28)