pyridin-3-ylmethyl N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: pyridin-3-ylmethyl N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-3-phenyl-2-(3-pyridylmethyl)isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-3-phenyl-2-(3-pyridylmethyl)isothiourea Formula: C14H12N4S MolecularWeight: 268.33688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(NC#N)SCC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)N=C(NC#N)SCC2=CN=CC=C2

InChI

InChI=1S/C14H12N4S/c15-11-17-14(18-13-6-2-1-3-7-13)19-10-12-5-4-8-16-9-12/h1-9H,10H2,(H,17,18)