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

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-N-methyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H19BrN4O2S2 MolecularWeight: 467.40306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O2S2/c1-22(11-12-10-13(19)5-6-14(12)25-2)16(24)7-8-23-17(20-21-18(23)26)15-4-3-9-27-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)