N-[(4-bromophenyl)methyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[(4-bromophenyl)methyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[(4-bromophenyl)methyl]-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(4-bromophenyl)methyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(4-bromophenyl)methyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(4-bromobenzyl)-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H17BrN4OS2 MolecularWeight: 437.37708

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H17BrN4OS2/c1-21(11-12-4-6-13(18)7-5-12)15(23)8-9-22-16(19-20-17(22)24)14-3-2-10-25-14/h2-7,10H,8-9,11H2,1H3,(H,20,24)