methyl N'-(4-fluorophenyl)-N-(1,2,4-triazol-4-yl)carbamimidothioate

Systemtic Name: methyl N'-(4-fluorophenyl)-N-(1,2,4-triazol-4-yl)carbamimidothioate Openeye Name: 3-(4-fluorophenyl)-2-methyl-1-(1,2,4-triazol-4-yl)isothiourea CAS Name: N'-(4-fluorophenyl)-N-(1,2,4-triazol-4-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-fluorophenyl)-N-(1,2,4-triazol-4-yl)carbamimidothioate Traditional Name: 3-(4-fluorophenyl)-2-methyl-1-(1,2,4-triazol-4-yl)isothiourea Formula: C10H10FN5S MolecularWeight: 251.283303

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1=CC=C(C=C1)F)NN2C=NN=C2

Isomeric SMILES

CSC(=NC1=CC=C(C=C1)F)NN2C=NN=C2

InChI

InChI=1S/C10H10FN5S/c1-17-10(15-16-6-12-13-7-16)14-9-4-2-8(11)3-5-9/h2-7H,1H3,(H,14,15)