2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]quinazolin-4-one Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-3-10-22-19(25)15-6-4-5-7-16(15)21-20(22)28-12-18(24)14-9-8-13(2)17(11-14)23(26)27/h3-9,11H,1,10,12H2,2H3