6-chloranyl-4-ethynyl-3-methyl-4-phenyl-1H-quinazoline-2-thione

Systemtic Name: 6-chloranyl-4-ethynyl-3-methyl-4-phenyl-1H-quinazoline-2-thione Openeye Name: 6-chloro-4-ethynyl-3-methyl-4-phenyl-1H-quinazoline-2-thione CAS Name: 6-chloro-4-ethynyl-3-methyl-4-phenyl-1H-quinazoline-2-thione IUPAC Name: 6-chloro-4-ethynyl-3-methyl-4-phenyl-1H-quinazoline-2-thione Traditional Name: 6-chloro-4-ethynyl-3-methyl-4-phenyl-1H-quinazoline-2-thione Formula: C17H13ClN2S MolecularWeight: 312.81652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)NC2=C(C1(C#C)C3=CC=CC=C3)C=C(C=C2)Cl

Isomeric SMILES

CN1C(=S)NC2=C(C1(C#C)C3=CC=CC=C3)C=C(C=C2)Cl

InChI

InChI=1S/C17H13ClN2S/c1-3-17(12-7-5-4-6-8-12)14-11-13(18)9-10-15(14)19-16(21)20(17)2/h1,4-11H,2H3,(H,19,21)