N-methyl-N-[[5-methylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-3-yl-methanamine

Systemtic Name: N-methyl-N-[[5-methylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-3-yl-methanamine Openeye Name: N-methyl-N-[[5-methylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(3-pyridyl)methanamine CAS Name: N-methyl-N-[[5-(methylthio)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(3-pyridinyl)methanamine IUPAC Name: N-methyl-N-[[5-methylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-3-ylmethanamine Traditional Name: methyl-[[5-(methylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]methyl]-(3-pyridylmethyl)amine Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)CC2=NN=C(N2CC3CCCO3)SC

Isomeric SMILES

CN(CC1=CN=CC=C1)CC2=NN=C(N2CC3CCCO3)SC

InChI

InChI=1S/C16H23N5OS/c1-20(10-13-5-3-7-17-9-13)12-15-18-19-16(23-2)21(15)11-14-6-4-8-22-14/h3,5,7,9,14H,4,6,8,10-12H2,1-2H3