(2S)-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: (2S)-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: (2S)-2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: (2S)-2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2S)-2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2S)-2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]propionitrile Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C#N

InChI

InChI=1S/C21H21N3OS/c1-3-4-7-16-10-12-17(13-11-16)24-20(25)18-8-5-6-9-19(18)23-21(24)26-15(2)14-22/h5-6,8-13,15H,3-4,7H2,1-2H3/t15-/m0/s1