4-[2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(1-butyl-5-tetrazolyl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(1-butyltetrazol-5-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[(1-butyltetrazol-5-yl)methylthio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C21H19N7OS MolecularWeight: 417.48686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N7OS/c1-2-3-12-27-19(24-25-26-27)14-30-21-23-18-7-5-4-6-17(18)20(29)28(21)16-10-8-15(13-22)9-11-16/h4-11H,2-3,12,14H2,1H3