prop-2-ynyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate

Systemtic Name: prop-2-ynyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate Openeye Name: 3-[(E)-(4-fluorophenyl)methyleneamino]-2-prop-2-ynyl-isothiourea CAS Name: N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidothioate Traditional Name: 3-[(E)-(4-fluorobenzylidene)amino]-2-propargyl-isothiourea Formula: C11H10FN3S MolecularWeight: 235.280603

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC(=NN=CC1=CC=C(C=C1)F)N

Isomeric SMILES

C#CCSC(=N/N=C/C1=CC=C(C=C1)F)N

InChI

InChI=1S/C11H10FN3S/c1-2-7-16-11(13)15-14-8-9-3-5-10(12)6-4-9/h1,3-6,8H,7H2,(H2,13,15)/b14-8+