N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinoxalin-6-yl-methanamine

Systemtic Name: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinoxalin-6-yl-methanamine Openeye Name: N-[[4-allyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinoxalin-6-yl-methanamine CAS Name: N-[[5-[(3-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(6-quinoxalinyl)methanamine IUPAC Name: N-[[5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinoxalin-6-ylmethanamine Traditional Name: [4-allyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl-methyl-(quinoxalin-6-ylmethyl)amine Formula: C23H23FN6S MolecularWeight: 434.532323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=NC=CN=C2C=C1)CC3=NN=C(N3CC=C)SCC4=CC(=CC=C4)F

Isomeric SMILES

CN(CC1=CC2=NC=CN=C2C=C1)CC3=NN=C(N3CC=C)SCC4=CC(=CC=C4)F

InChI

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