2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]quinazolin-4-olate

Systemtic Name: 2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]quinazolin-4-olate Openeye Name: 2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]quinazolin-4-olate CAS Name: 2-[[4-phenyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methylthio]-4-quinazolinolate IUPAC Name: 2-[(4-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]quinazolin-4-olate Traditional Name: 2-[[4-phenyl-5-(propargylthio)-1,2,4-triazol-3-yl]methylthio]quinazolin-4-olate Formula: C20H14N5OS2- MolecularWeight: 404.48806

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C#CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H15N5OS2/c1-2-12-27-20-24-23-17(25(20)14-8-4-3-5-9-14)13-28-19-21-16-11-7-6-10-15(16)18(26)22-19/h1,3-11H,12-13H2,(H,21,22,26)/p-1