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

Systemtic Name: ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[(4-pentyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-amyl-5-thioxo-1,2,4-triazol-1-yl)methyl-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C19H27N6OS+ MolecularWeight: 387.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN(C1=S)C[NH+](CC)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+](CC)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H26N6OS/c1-3-5-8-11-24-13-20-25(19(24)27)14-23(4-2)12-17-21-16-10-7-6-9-15(16)18(26)22-17/h6-7,9-10,13H,3-5,8,11-12,14H2,1-2H3,(H,21,22,26)/p+1