4-methoxy-N-[5-[(6-methyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-methoxy-N-[5-[(6-methyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-methoxy-N-[5-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-methoxy-N-[5-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methoxy-N-[5-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[(4-keto-6-methyl-1H-quinolin-2-yl)methylthio]-1,3,4-thiadiazol-2-yl]-4-methoxy-benzamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18N4O3S2/c1-12-3-8-17-16(9-12)18(26)10-14(22-17)11-29-21-25-24-20(30-21)23-19(27)13-4-6-15(28-2)7-5-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,24,27)