tert-butyl-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propyl]azanium

Systemtic Name: tert-butyl-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propyl]azanium Openeye Name: tert-butyl-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propyl]ammonium CAS Name: tert-butyl-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]ammonium IUPAC Name: tert-butyl-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]azanium Traditional Name: tert-butyl-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propyl]ammonium Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CC(C)(C)[NH2+]CCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C15H21N3OS/c1-15(2,3)16-9-6-10-18-13(19)11-7-4-5-8-12(11)17-14(18)20/h4-5,7-8,16H,6,9-10H2,1-3H3,(H,17,20)/p+1