6-[[[3-[(4-fluorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-[(4-fluorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[3-[(4-fluorophenyl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[3-[(4-fluorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[3-[(4-fluorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[3-(4-fluorobenzyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C16H13FN4OS MolecularWeight: 328.364023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNN2C(=NNC2=S)CC3=CC=C(C=C3)F)C(=O)C=C1

Isomeric SMILES

C1=CC(=CNN2C(=NNC2=S)CC3=CC=C(C=C3)F)C(=O)C=C1

InChI

InChI=1S/C16H13FN4OS/c17-13-7-5-11(6-8-13)9-15-19-20-16(23)21(15)18-10-12-3-1-2-4-14(12)22/h1-8,10,18H,9H2,(H,20,23)