dimethyl-[[4-[(4-thiocyanatophenyl)amino]quinazolin-2-yl]methyl]azanium

Systemtic Name: dimethyl-[[4-[(4-thiocyanatophenyl)amino]quinazolin-2-yl]methyl]azanium Openeye Name: dimethyl-[[4-(4-thiocyanatoanilino)quinazolin-2-yl]methyl]ammonium CAS Name: dimethyl-[[4-(4-thiocyanatoanilino)-2-quinazolinyl]methyl]ammonium IUPAC Name: dimethyl-[[4-(4-thiocyanatoanilino)quinazolin-2-yl]methyl]azanium Traditional Name: dimethyl-[[4-(4-thiocyanatoanilino)quinazolin-2-yl]methyl]ammonium Formula: C18H18N5S+ MolecularWeight: 336.43402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C18H17N5S/c1-23(2)11-17-21-16-6-4-3-5-15(16)18(22-17)20-13-7-9-14(10-8-13)24-12-19/h3-10H,11H2,1-2H3,(H,20,21,22)/p+1