3-[1-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[1-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[1-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[1-[[(5-bromo-2-thiophenyl)methyl-ethylamino]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[1-[[(5-bromothiophen-2-yl)methyl-ethylamino]methyl]-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[1-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-3-(2-thienyl)-5-thioxo-1,2,4-triazol-4-yl]propionamide Formula: C17H20BrN5OS3 MolecularWeight: 486.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CN2C(=S)N(C(=N2)C3=CC=CS3)CCC(=O)N

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CN2C(=S)N(C(=N2)C3=CC=CS3)CCC(=O)N

InChI

InChI=1S/C17H20BrN5OS3/c1-2-21(10-12-5-6-14(18)27-12)11-23-17(25)22(8-7-15(19)24)16(20-23)13-4-3-9-26-13/h3-6,9H,2,7-8,10-11H2,1H3,(H2,19,24)