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

Systemtic Name: 6-[[5-[(2-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C24H19ClN4OS MolecularWeight: 446.95186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)COC5=CC=CC=C5Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)COC5=CC=CC=C5Cl

InChI

InChI=1S/C24H19ClN4OS/c1-29-23(14-30-22-13-7-5-11-19(22)25)27-28-24(29)31-15-21-18-10-3-2-8-16(18)17-9-4-6-12-20(17)26-21/h2-13H,14-15H2,1H3