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4-(2-methyl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)azepane

4-(2-methyl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)azepane

Systemtic Name:4-(2-methyl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)azepane
Openeye Name:4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-thienylmethyl)azepane
CAS Name:4-(2-methyl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)azepane
IUPAC Name:4-(2-methyl-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)azepane
Traditional Name:4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-thenyl)azepane
Formula: C14H20N4S
MolecularWeight: 276.4004
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C2CCCN(CC2)CC3=CC=CS3


Isomeric SMILES

CN1C(=NC=N1)C2CCCN(CC2)CC3=CC=CS3


InChI

InChI=1S/C14H20N4S/c1-17-14(15-11-16-17)12-4-2-7-18(8-6-12)10-13-5-3-9-19-13/h3,5,9,11-12H,2,4,6-8,10H2,1H3


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