3,4-dihydro-2H-quinolin-1-yl-[4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]phenyl]methanone

Systemtic Name: 3,4-dihydro-2H-quinolin-1-yl-[4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]phenyl]methanone Openeye Name: [4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: 3,4-dihydro-2H-quinolin-1-yl-[4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]phenyl]methanone IUPAC Name: [4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: [4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone Formula: C25H21N3OS3 MolecularWeight: 475.64874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)N4C(=S)SC(=N4)SCC5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)N4C(=S)SC(=N4)SCC5=CC=CC=C5

InChI

InChI=1S/C25H21N3OS3/c29-23(27-16-6-10-19-9-4-5-11-22(19)27)20-12-14-21(15-13-20)28-25(30)32-24(26-28)31-17-18-7-2-1-3-8-18/h1-5,7-9,11-15H,6,10,16-17H2