2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C18H11ClN4OS2 MolecularWeight: 398.88914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)CC#N

InChI

InChI=1S/C18H11ClN4OS2/c19-11-5-6-15-14(9-11)22-18(26-15)25-10-16-21-13-4-2-1-3-12(13)17(24)23(16)8-7-20/h1-6,9H,8,10H2