2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-methoxy-phenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-methoxy-phenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(3-chloro-4-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(3-chloro-4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one Formula: C27H27ClN2O3S MolecularWeight: 495.03288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C27H27ClN2O3S/c1-33-23-7-6-19(11-21(23)28)30-25(32)20-4-2-3-5-22(20)29-26(30)34-15-24(31)27-12-16-8-17(13-27)10-18(9-16)14-27/h2-7,11,16-18H,8-10,12-15H2,1H3