2-(4-chlorophenyl)-4-prop-2-ynylsulfanyl-quinazoline

Systemtic Name: 2-(4-chlorophenyl)-4-prop-2-ynylsulfanyl-quinazoline Openeye Name: 2-(4-chlorophenyl)-4-prop-2-ynylsulfanyl-quinazoline CAS Name: 2-(4-chlorophenyl)-4-(prop-2-ynylthio)quinazoline IUPAC Name: 2-(4-chlorophenyl)-4-prop-2-ynylsulfanylquinazoline Traditional Name: 2-(4-chlorophenyl)-4-(propargylthio)quinazoline Formula: C17H11ClN2S MolecularWeight: 310.80064

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H11ClN2S/c1-2-11-21-17-14-5-3-4-6-15(14)19-16(20-17)12-7-9-13(18)10-8-12/h1,3-10H,11H2