cyclohexyl-(3-methyl-5-quinolin-8-yl-1,3,4-thiadiazol-2-ylidene)-quinolin-8-yl-azanium

Systemtic Name: cyclohexyl-(3-methyl-5-quinolin-8-yl-1,3,4-thiadiazol-2-ylidene)-quinolin-8-yl-azanium Openeye Name: cyclohexyl-[3-methyl-5-(8-quinolyl)-1,3,4-thiadiazol-2-ylidene]-(8-quinolyl)ammonium CAS Name: cyclohexyl-[3-methyl-5-(8-quinolinyl)-1,3,4-thiadiazol-2-ylidene]-(8-quinolinyl)ammonium IUPAC Name: cyclohexyl-(3-methyl-5-quinolin-8-yl-1,3,4-thiadiazol-2-ylidene)-quinolin-8-ylazanium Traditional Name: cyclohexyl-[3-methyl-5-(8-quinolyl)-1,3,4-thiadiazol-2-ylidene]-(8-quinolyl)ammonium Formula: C27H26N5S+ MolecularWeight: 452.59384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=[N+](C2CCCCC2)C3=CC=CC4=C3N=CC=C4)SC(=N1)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CN1C(=[N+](C2CCCCC2)C3=CC=CC4=C3N=CC=C4)SC(=N1)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H26N5S/c1-31-27(33-26(30-31)22-15-5-9-19-11-7-17-28-24(19)22)32(21-13-3-2-4-14-21)23-16-6-10-20-12-8-18-29-25(20)23/h5-12,15-18,21H,2-4,13-14H2,1H3/q+1