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

Systemtic Name: 6-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C23H24N4S MolecularWeight: 388.52846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC2=NC(=NN2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

C1CCC(C1)CCC2=NC(=NN2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C23H24N4S/c1-2-8-16(7-1)13-14-22-25-23(27-26-22)28-15-21-19-11-4-3-9-17(19)18-10-5-6-12-20(18)24-21/h3-6,9-12,16H,1-2,7-8,13-15H2,(H,25,26,27)