pyridin-4-ylmethyl N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: pyridin-4-ylmethyl N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-3-phenyl-2-(4-pyridylmethyl)isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-3-phenyl-2-(4-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=CC=NC=C2

Isomeric SMILES

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

InChI

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