2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide

Systemtic Name: 2-[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C18H18ClN5O2S MolecularWeight: 403.88582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

Isomeric SMILES

C1CC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

InChI

InChI=1S/C18H18ClN5O2S/c19-12-9-20-23(10-12)7-8-24-17(26)14-3-1-2-4-15(14)22-18(24)27-11-16(25)21-13-5-6-13/h1-4,9-10,13H,5-8,11H2,(H,21,25)