N,N-bis(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-(quinazolin-4-ylthio)acetamide Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C16H15N5OS/c17-7-3-9-21(10-4-8-18)15(22)11-23-16-13-5-1-2-6-14(13)19-12-20-16/h1-2,5-6,12H,3-4,9-11H2