N-[[5-(2-chloranylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-4-yl-methanamine

Systemtic Name: N-[[5-(2-chloranylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-4-yl-methanamine Openeye Name: N-[[4-allyl-5-(2-chloroallylsulfanyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(4-quinolyl)methanamine CAS Name: N-[[5-(2-chloroprop-2-enylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(4-quinolinyl)methanamine IUPAC Name: N-[[5-(2-chloroprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-N-methyl-1-quinolin-4-ylmethanamine Traditional Name: [4-allyl-5-(2-chloroallylthio)-1,2,4-triazol-3-yl]methyl-methyl-(4-quinolylmethyl)amine Formula: C20H22ClN5S MolecularWeight: 399.94018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC2=CC=CC=C12)CC3=NN=C(N3CC=C)SCC(=C)Cl

Isomeric SMILES

CN(CC1=CC=NC2=CC=CC=C12)CC3=NN=C(N3CC=C)SCC(=C)Cl

InChI

InChI=1S/C20H22ClN5S/c1-4-11-26-19(23-24-20(26)27-14-15(2)21)13-25(3)12-16-9-10-22-18-8-6-5-7-17(16)18/h4-10H,1-2,11-14H2,3H3