N-[3-(azepan-1-yl)-5-methyl-1,2,4-triazol-4-yl]-2-thiophen-2-yl-ethanimine

Systemtic Name: N-[3-(azepan-1-yl)-5-methyl-1,2,4-triazol-4-yl]-2-thiophen-2-yl-ethanimine Openeye Name: N-[3-(azepan-1-yl)-5-methyl-1,2,4-triazol-4-yl]-2-(2-thienyl)ethanimine CAS Name: N-[3-(1-azepanyl)-5-methyl-1,2,4-triazol-4-yl]-2-thiophen-2-ylethanimine IUPAC Name: N-[3-(azepan-1-yl)-5-methyl-1,2,4-triazol-4-yl]-2-thiophen-2-ylethanimine Traditional Name: (E)-[3-(azepan-1-yl)-5-methyl-1,2,4-triazol-4-yl]-[2-(2-thienyl)ethylidene]amine Formula: C15H21N5S MolecularWeight: 303.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CCC2=CC=CS2)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(N1/N=C/CC2=CC=CS2)N3CCCCCC3

InChI

InChI=1S/C15H21N5S/c1-13-17-18-15(19-10-4-2-3-5-11-19)20(13)16-9-8-14-7-6-12-21-14/h6-7,9,12H,2-5,8,10-11H2,1H3/b16-9+