2-(2,4-dimethoxyphenyl)-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole

Systemtic Name: 2-(2,4-dimethoxyphenyl)-3-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-1H-indole Openeye Name: 2-(2,4-dimethoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole CAS Name: 2-(2,4-dimethoxyphenyl)-3-(2H-tetrazol-5-ylmethylthio)-1H-indole IUPAC Name: 2-(2,4-dimethoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole Traditional Name: 2-(2,4-dimethoxyphenyl)-3-(2H-tetrazol-5-ylmethylthio)-1H-indole Formula: C18H17N5O2S MolecularWeight: 367.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C3=CC=CC=C3N2)SCC4=NNN=N4)OC

InChI

InChI=1S/C18H17N5O2S/c1-24-11-7-8-13(15(9-11)25-2)17-18(26-10-16-20-22-23-21-16)12-5-3-4-6-14(12)19-17/h3-9,19H,10H2,1-2H3,(H,20,21,22,23)