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

Systemtic Name: 6-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]methyl]phenanthridine IUPAC Name: 6-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]methyl]phenanthridine Formula: C23H19N5S MolecularWeight: 397.49546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C23H19N5S/c1-15-8-7-9-16(2)22(15)28-23(25-26-27-28)29-14-21-19-12-4-3-10-17(19)18-11-5-6-13-20(18)24-21/h3-13H,14H2,1-2H3