[azanyl-[(4-methylquinazolin-2-yl)amino]methylidene]-[(4-fluorophenyl)carbamothioyl]azanium

Systemtic Name: [azanyl-[(4-methylquinazolin-2-yl)amino]methylidene]-[(4-fluorophenyl)carbamothioyl]azanium Openeye Name: [amino-[(4-methylquinazolin-2-yl)amino]methylene]-[(4-fluorophenyl)carbamothioyl]ammonium CAS Name: [amino-[(4-methyl-2-quinazolinyl)amino]methylidene]-[(4-fluoroanilino)-sulfanylidenemethyl]ammonium IUPAC Name: [amino-[(4-methylquinazolin-2-yl)amino]methylidene]-[(4-fluorophenyl)carbamothioyl]azanium Traditional Name: [amino-[(4-methylquinazolin-2-yl)amino]methylene]-[(4-fluorophenyl)thiocarbamoyl]ammonium Formula: C17H16FN6S+ MolecularWeight: 355.412543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC(=[NH+]C(=S)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC(=[NH+]C(=S)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C17H15FN6S/c1-10-13-4-2-3-5-14(13)22-16(20-10)23-15(19)24-17(25)21-12-8-6-11(18)7-9-12/h2-9H,1H3,(H4,19,20,21,22,23,24,25)/p+1