4-[2-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H24N4O2S/c1-16(2)29-17(3)13-22(18(29)4)24(31)15-33-26-28-23-8-6-5-7-21(23)25(32)30(26)20-11-9-19(14-27)10-12-20/h5-13,16H,15H2,1-4H3