N-methyl-N-[[5-(oxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1-(1-pyridin-2-ylpyrrol-2-yl)methanamine

Systemtic Name: N-methyl-N-[[5-(oxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1-(1-pyridin-2-ylpyrrol-2-yl)methanamine Openeye Name: N-[[4-allyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-[1-(2-pyridyl)pyrrol-2-yl]methanamine CAS Name: N-methyl-N-[[5-(2-oxolanylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1-[1-(2-pyridinyl)-2-pyrrolyl]methanamine IUPAC Name: N-methyl-N-[[5-(oxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-1-(1-pyridin-2-ylpyrrol-2-yl)methanamine Traditional Name: [4-allyl-5-(tetrahydrofurfurylthio)-1,2,4-triazol-3-yl]methyl-methyl-[[1-(2-pyridyl)pyrrol-2-yl]methyl]amine Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CN1C2=CC=CC=N2)CC3=NN=C(N3CC=C)SCC4CCCO4

Isomeric SMILES

CN(CC1=CC=CN1C2=CC=CC=N2)CC3=NN=C(N3CC=C)SCC4CCCO4

InChI

InChI=1S/C22H28N6OS/c1-3-12-28-21(24-25-22(28)30-17-19-9-7-14-29-19)16-26(2)15-18-8-6-13-27(18)20-10-4-5-11-23-20/h3-6,8,10-11,13,19H,1,7,9,12,14-17H2,2H3