4-[3-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-ylidene]morpholin-4-ium

Systemtic Name: 4-[3-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-ylidene]morpholin-4-ium Openeye Name: 4-[2-[(4-nitrophenyl)methyl]-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]morpholin-4-ium CAS Name: 4-[3-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-ylidene]morpholin-4-ium IUPAC Name: 4-[3-(4-methylphenyl)-2-[(4-nitrophenyl)methyl]-1,2,4-thiadiazol-5-ylidene]morpholin-4-ium Traditional Name: 4-[2-(4-nitrobenzyl)-3-(p-tolyl)-1,2,4-thiadiazol-5-ylidene]morpholin-4-ium Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+]3CCOCC3)SN2CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+]3CCOCC3)SN2CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N4O3S/c1-15-2-6-17(7-3-15)19-21-20(22-10-12-27-13-11-22)28-23(19)14-16-4-8-18(9-5-16)24(25)26/h2-9H,10-14H2,1H3/q+1