ethyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: ethyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: ethyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: ethyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C21H23N6OS+ MolecularWeight: 407.51192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6OS/c1-3-26(13-18-22-17-12-8-7-11-16(17)20(28)23-18)14-27-21(29)25(2)19(24-27)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,22,23,28)/p+1