2-[(3-chlorophenyl)methyl]-4-prop-2-ynylsulfanyl-quinazoline

Systemtic Name: 2-[(3-chlorophenyl)methyl]-4-prop-2-ynylsulfanyl-quinazoline Openeye Name: 2-[(3-chlorophenyl)methyl]-4-prop-2-ynylsulfanyl-quinazoline CAS Name: 2-[(3-chlorophenyl)methyl]-4-(prop-2-ynylthio)quinazoline IUPAC Name: 2-[(3-chlorophenyl)methyl]-4-prop-2-ynylsulfanylquinazoline Traditional Name: 2-(3-chlorobenzyl)-4-(propargylthio)quinazoline Formula: C18H13ClN2S MolecularWeight: 324.82722

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=NC2=CC=CC=C21)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C#CCSC1=NC(=NC2=CC=CC=C21)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H13ClN2S/c1-2-10-22-18-15-8-3-4-9-16(15)20-17(21-18)12-13-6-5-7-14(19)11-13/h1,3-9,11H,10,12H2