6-chloranyl-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H16ClN3O2S/c1-2-9-25-20(27)15-10-13(22)7-8-18(15)24-21(25)28-12-19(26)16-11-23-17-6-4-3-5-14(16)17/h2-8,10-11,23H,1,9,12H2