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

Systemtic Name: 6-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenanthridine CAS Name: 6-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenanthridine Traditional Name: 6-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]phenanthridine Formula: C25H22N4S MolecularWeight: 410.53398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4S/c1-2-29-24(16-18-10-4-3-5-11-18)27-28-25(29)30-17-23-21-14-7-6-12-19(21)20-13-8-9-15-22(20)26-23/h3-15H,2,16-17H2,1H3