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

Systemtic Name: 6-[[5-[(2-chloranylphenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[5-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C26H21ClN4OS MolecularWeight: 472.98914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C5=CC=CC=C53)COC6=CC=CC=C6Cl

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C5=CC=CC=C53)COC6=CC=CC=C6Cl

InChI

InChI=1S/C26H21ClN4OS/c27-21-10-4-6-12-24(21)32-15-25-29-30-26(31(25)17-13-14-17)33-16-23-20-9-2-1-7-18(20)19-8-3-5-11-22(19)28-23/h1-12,17H,13-16H2