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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H16BrFN4OS MolecularWeight: 435.313243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)F)Br

InChI

InChI=1S/C18H16BrFN4OS/c1-11-10-14(6-7-15(11)19)21-16(25)8-9-24-17(22-23-18(24)26)12-2-4-13(20)5-3-12/h2-7,10H,8-9H2,1H3,(H,21,25)(H,23,26)