(8-methoxycarbonyl-5-oxidanylidene-3H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-ylidene)-phenethyl-azanium

Systemtic Name: (8-methoxycarbonyl-5-oxidanylidene-3H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-ylidene)-phenethyl-azanium Openeye Name: (8-methoxycarbonyl-5-oxo-3H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-ylidene)-phenethyl-ammonium CAS Name: (8-methoxycarbonyl-5-oxo-3H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-ylidene)-phenethylammonium IUPAC Name: (8-methoxycarbonyl-5-oxo-3H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-ylidene)-phenethylazanium Traditional Name: (8-carbomethoxy-5-keto-3H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-ylidene)-phenethyl-ammonium Formula: C19H17N4O3S+ MolecularWeight: 381.42828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N3C(=N2)SC(=[NH+]CCC4=CC=CC=C4)N3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N3C(=N2)SC(=[NH+]CCC4=CC=CC=C4)N3

InChI

InChI=1S/C19H16N4O3S/c1-26-17(25)13-7-8-14-15(11-13)21-19-23(16(14)24)22-18(27-19)20-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,20,22)/p+1