3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline Traditional Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline Formula: C23H16N6S MolecularWeight: 408.47834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=NN=C(N24)SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=NN=C(N24)SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C23H16N6S/c1-2-8-15(9-3-1)21-26-17-11-5-4-10-16(17)22-27-28-23(29(21)22)30-14-20-24-18-12-6-7-13-19(18)25-20/h1-13H,14H2,(H,24,25)