6-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]phenanthridine

Systemtic Name: 6-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]methyl]phenanthridine IUPAC Name: 6-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]methyl]phenanthridine Formula: C22H17N5OS MolecularWeight: 399.46828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C22H17N5OS/c1-28-21-13-7-6-12-20(21)27-22(24-25-26-27)29-14-19-17-10-3-2-8-15(17)16-9-4-5-11-18(16)23-19/h2-13H,14H2,1H3