4-[5-(2-carbazol-9-ylethyl)-3-methoxy-1,2,4-triazol-1-yl]benzenethiol

Systemtic Name: 4-[5-(2-carbazol-9-ylethyl)-3-methoxy-1,2,4-triazol-1-yl]benzenethiol Openeye Name: 4-[5-(2-carbazol-9-ylethyl)-3-methoxy-1,2,4-triazol-1-yl]benzenethiol CAS Name: 4-[5-[2-(9-carbazolyl)ethyl]-3-methoxy-1,2,4-triazol-1-yl]benzenethiol IUPAC Name: 4-[5-(2-carbazol-9-ylethyl)-3-methoxy-1,2,4-triazol-1-yl]benzenethiol Traditional Name: 4-[5-(2-carbazol-9-ylethyl)-3-methoxy-1,2,4-triazol-1-yl]benzenethiol Formula: C23H20N4OS MolecularWeight: 400.4961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=N1)CCN2C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)S

Isomeric SMILES

COC1=NN(C(=N1)CCN2C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)S

InChI

InChI=1S/C23H20N4OS/c1-28-23-24-22(27(25-23)16-10-12-17(29)13-11-16)14-15-26-20-8-4-2-6-18(20)19-7-3-5-9-21(19)26/h2-13,29H,14-15H2,1H3