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

Systemtic Name: 6-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenanthridine Openeye Name: 6-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]phenanthridine IUPAC Name: 6-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenanthridine Traditional Name: 6-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C22H18N4S2 MolecularWeight: 402.53512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5=CC=CS5

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5=CC=CS5

InChI

InChI=1S/C22H18N4S2/c1-2-26-21(20-12-7-13-27-20)24-25-22(26)28-14-19-17-10-4-3-8-15(17)16-9-5-6-11-18(16)23-19/h3-13H,2,14H2,1H3