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(3-cyanophenyl)methyl carbamimidothioate

(3-cyanophenyl)methyl carbamimidothioate

Systemtic Name:(3-cyanophenyl)methyl carbamimidothioate
Openeye Name:2-[(3-cyanophenyl)methyl]isothiourea
CAS Name:carbamimidothioic acid (3-cyanophenyl)methyl ester
IUPAC Name:(3-cyanophenyl)methyl carbamimidothioate
Traditional Name:2-(3-cyanobenzyl)isothiourea
Formula: C9H9N3S
MolecularWeight: 191.25286
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC(=N)N)C#N


Isomeric SMILES

C1=CC(=CC(=C1)CSC(=N)N)C#N


InChI

InChI=1S/C9H9N3S/c10-5-7-2-1-3-8(4-7)6-13-9(11)12/h1-4H,6H2,(H3,11,12)


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