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

Systemtic Name: 6-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5OC

InChI

InChI=1S/C25H22N4OS/c1-3-29-24(20-13-7-9-15-23(20)30-2)27-28-25(29)31-16-22-19-12-5-4-10-17(19)18-11-6-8-14-21(18)26-22/h4-15H,3,16H2,1-2H3