4-[(5-methylthiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]azepane dihydrochloride

Systemtic Name: 4-[(5-methylthiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]azepane dihydrochloride Openeye Name: 4-[(5-methyl-2-thienyl)-(1H-1,2,4-triazol-5-yl)methyl]azepane dihydrochloride CAS Name: 4-[(5-methyl-2-thiophenyl)-(1H-1,2,4-triazol-5-yl)methyl]azepane dihydrochloride IUPAC Name: 4-[(5-methylthiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]azepane dihydrochloride Traditional Name: 4-[(5-methyl-2-thienyl)-(1H-1,2,4-triazol-5-yl)methyl]azepane dihydrochloride Formula: C14H22Cl2N4S MolecularWeight: 349.32228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2CCCNCC2)C3=NC=NN3.Cl.Cl

Isomeric SMILES

CC1=CC=C(S1)C(C2CCCNCC2)C3=NC=NN3.Cl.Cl

InChI

InChI=1S/C14H20N4S.2ClH/c1-10-4-5-12(19-10)13(14-16-9-17-18-14)11-3-2-7-15-8-6-11;;/h4-5,9,11,13,15H,2-3,6-8H2,1H3,(H,16,17,18);2*1H