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

Systemtic Name: N-(3-bromophenyl)-3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-bromophenyl)-3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-bromophenyl)-3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-bromophenyl)-3-[3-(4-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-bromophenyl)-3-[3-(4-fluorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H14BrFN4OS MolecularWeight: 421.286663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrFN4OS/c18-12-2-1-3-14(10-12)20-15(24)8-9-23-16(21-22-17(23)25)11-4-6-13(19)7-5-11/h1-7,10H,8-9H2,(H,20,24)(H,22,25)