(4-cyanophenyl)methyl N'-azanylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-azanylcarbamimidothioate Openeye Name: 3-amino-2-[(4-cyanophenyl)methyl]isothiourea CAS Name: N'-aminocarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-aminocarbamimidothioate Traditional Name: 3-amino-2-(4-cyanobenzyl)isothiourea Formula: C9H10N4S MolecularWeight: 206.2675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=NN)N)C#N

Isomeric SMILES

C1=CC(=CC=C1CS/C(=N/N)/N)C#N

InChI

InChI=1S/C9H10N4S/c10-5-7-1-3-8(4-2-7)6-14-9(11)13-12/h1-4H,6,12H2,(H2,11,13)