N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C16H18N5OS+ MolecularWeight: 328.41202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(C=CN1)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC(C)[N+]1=C(C=CN1)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H17N5OS/c1-11(2)21-14(7-8-19-21)20-15(22)9-23-16-12-5-3-4-6-13(12)17-10-18-16/h3-8,10-11H,9H2,1-2H3,(H,19,20,22)/p+1