2-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C18H12N4OS2 MolecularWeight: 364.44408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4S3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=CC=CC=C4S3)CC#N

InChI

InChI=1S/C18H12N4OS2/c19-9-10-22-16(20-13-6-2-1-5-12(13)17(22)23)11-24-18-21-14-7-3-4-8-15(14)25-18/h1-8H,10-11H2