4-fluoranyl-3-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide

Systemtic Name: 4-fluoranyl-3-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide Openeye Name: 4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide CAS Name: 4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide IUPAC Name: 4-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarbothioamide Traditional Name: 4-fluoro-3-(1,2,4-triazol-1-ylmethyl)thiobenzamide Formula: C10H9FN4S MolecularWeight: 236.268663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=S)N)CN2C=NC=N2)F

Isomeric SMILES

C1=CC(=C(C=C1C(=S)N)CN2C=NC=N2)F

InChI

InChI=1S/C10H9FN4S/c11-9-2-1-7(10(12)16)3-8(9)4-15-6-13-5-14-15/h1-3,5-6H,4H2,(H2,12,16)