5-azanylidene-2-(3-methylphenyl)-6-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: 5-azanylidene-2-(3-methylphenyl)-6-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 5-imino-2-(m-tolyl)-6-[[4-[(2-nitrophenyl)methoxy]phenyl]methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 5-imino-2-(3-methylphenyl)-6-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 5-imino-2-(3-methylphenyl)-6-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 5-imino-2-(m-tolyl)-6-[4-(2-nitrobenzyl)oxybenzylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C26H19N5O4S MolecularWeight: 497.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN3C(=N)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5[N+](=O)[O-])C(=O)N=C3S2

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN3C(=N)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5[N+](=O)[O-])C(=O)N=C3S2

InChI

InChI=1S/C26H19N5O4S/c1-16-5-4-7-18(13-16)25-29-30-23(27)21(24(32)28-26(30)36-25)14-17-9-11-20(12-10-17)35-15-19-6-2-3-8-22(19)31(33)34/h2-14,27H,15H2,1H3