2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline

Systemtic Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-quinoxaline Formula: C21H18FN5S MolecularWeight: 391.464523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4CC4)C5=CC=CC=C5F

InChI

InChI=1S/C21H18FN5S/c1-13-19(24-18-9-5-4-8-17(18)23-13)12-28-21-26-25-20(27(21)14-10-11-14)15-6-2-3-7-16(15)22/h2-9,14H,10-12H2,1H3