ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C20H21N6OS+ MolecularWeight: 393.48534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N6OS/c1-2-24(12-18-22-17-11-7-6-10-16(17)19(27)23-18)14-26-20(28)25(13-21-26)15-8-4-3-5-9-15/h3-11,13H,2,12,14H2,1H3,(H,22,23,27)/p+1