(4-isothiocyanatophenyl)methyl carbamimidothioate

Systemtic Name: (4-isothiocyanatophenyl)methyl carbamimidothioate Openeye Name: 2-[(4-isothiocyanatophenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-isothiocyanatophenyl)methyl ester IUPAC Name: (4-isothiocyanatophenyl)methyl carbamimidothioate Traditional Name: 2-(4-isothiocyanatobenzyl)isothiourea Formula: C9H9N3S2 MolecularWeight: 223.31786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N)N=C=S

InChI

InChI=1S/C9H9N3S2/c10-9(11)14-5-7-1-3-8(4-2-7)12-6-13/h1-4H,5H2,(H3,10,11)