N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(4-propan-2-ylphenyl)methanamine

Systemtic Name: N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(4-propan-2-ylphenyl)methanamine Openeye Name: 1-(4-isopropylphenyl)-N-methyl-N-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanamine CAS Name: N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-(4-propan-2-ylphenyl)methanamine IUPAC Name: N-methyl-N-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1-(4-propan-2-ylphenyl)methanamine Traditional Name: (4-isopropylbenzyl)-methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]amine Formula: C21H27N5S MolecularWeight: 381.53758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C)CC2=NN=C(N2C)SCC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C)CC2=NN=C(N2C)SCC3=CC=NC=C3

InChI

InChI=1S/C21H27N5S/c1-16(2)19-7-5-17(6-8-19)13-25(3)14-20-23-24-21(26(20)4)27-15-18-9-11-22-12-10-18/h5-12,16H,13-15H2,1-4H3