1-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-3-(3,4-dimethylphenyl)carbonyl-quinolin-4-one

Systemtic Name: 1-[(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl]-3-(3,4-dimethylphenyl)carbonyl-quinolin-4-one Openeye Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-3-(3,4-dimethylbenzoyl)quinolin-4-one CAS Name: 1-[(5-chloro-4-thiadiazolyl)methyl]-3-[(3,4-dimethylphenyl)-oxomethyl]-4-quinolinone IUPAC Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-3-(3,4-dimethylbenzoyl)quinolin-4-one Traditional Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-3-(3,4-dimethylbenzoyl)-4-quinolone Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CN(C3=CC=CC=C3C2=O)CC4=C(SN=N4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CN(C3=CC=CC=C3C2=O)CC4=C(SN=N4)Cl)C

InChI

InChI=1S/C21H16ClN3O2S/c1-12-7-8-14(9-13(12)2)19(26)16-10-25(11-17-21(22)28-24-23-17)18-6-4-3-5-15(18)20(16)27/h3-10H,11H2,1-2H3