6-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine

Systemtic Name: 6-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C5=CC=CC=C53)C6=CC=CS6

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C5=CC=CC=C53)C6=CC=CS6

InChI

InChI=1S/C25H22N4OS2/c1-2-10-20-18(8-1)19-9-3-4-11-21(19)26-22(20)16-32-25-28-27-24(23-12-6-14-31-23)29(25)15-17-7-5-13-30-17/h1-4,6,8-12,14,17H,5,7,13,15-16H2