4-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-(2-indan-5-yl-2-oxo-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[(2-indan-5-yl-2-keto-ethyl)thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C26H19N3O2S MolecularWeight: 437.51296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H19N3O2S/c27-15-17-8-12-21(13-9-17)29-25(31)22-6-1-2-7-23(22)28-26(29)32-16-24(30)20-11-10-18-4-3-5-19(18)14-20/h1-2,6-14H,3-5,16H2