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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CSC4=NN=CN4CCC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CSC4=NN=CN4CCC5=CC=CS5

InChI

InChI=1S/C22H18N4S2/c1-2-9-19-17(7-1)18-8-3-4-10-20(18)24-21(19)14-28-22-25-23-15-26(22)12-11-16-6-5-13-27-16/h1-10,13,15H,11-12,14H2