(4-methyl-5-oxidanylidene-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-dipropyl-azanium

Systemtic Name: (4-methyl-5-oxidanylidene-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-dipropyl-azanium Openeye Name: (4-methyl-5-oxo-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-dipropyl-ammonium CAS Name: (4-methyl-5-oxo-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-dipropylammonium IUPAC Name: (4-methyl-5-oxo-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-dipropylazanium Traditional Name: (5-keto-4-methyl-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl)methyl-dipropyl-ammonium Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CN1C(=S)N2C3=CC=CC=C3C(=O)N(C2=N1)C

Isomeric SMILES

CCC[NH+](CCC)CN1C(=S)N2C3=CC=CC=C3C(=O)N(C2=N1)C

InChI

InChI=1S/C17H23N5OS/c1-4-10-20(11-5-2)12-21-17(24)22-14-9-7-6-8-13(14)15(23)19(3)16(22)18-21/h6-9H,4-5,10-12H2,1-3H3/p+1