N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinoxalin-5-yl-methanamine

Systemtic Name: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinoxalin-5-yl-methanamine Openeye Name: N-[[4-allyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinoxalin-5-yl-methanamine CAS Name: N-[[5-[(3-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(5-quinoxalinyl)methanamine IUPAC Name: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine Traditional Name: [4-allyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl-methyl-(quinoxalin-5-ylmethyl)amine Formula: C23H23FN6S MolecularWeight: 434.532323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C2C(=CC=C1)N=CC=N2)CC3=NN=C(N3CC=C)SCC4=CC(=CC=C4)F

Isomeric SMILES

CN(CC1=C2C(=CC=C1)N=CC=N2)CC3=NN=C(N3CC=C)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C23H23FN6S/c1-3-12-30-21(27-28-23(30)31-16-17-6-4-8-19(24)13-17)15-29(2)14-18-7-5-9-20-22(18)26-11-10-25-20/h3-11,13H,1,12,14-16H2,2H3