phenacyl N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: phenacyl N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-phenacyl-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid phenacyl ester IUPAC Name: phenacyl N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-phenacyl-3-phenyl-isothiourea Formula: C16H13N3OS MolecularWeight: 295.35892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)NC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)NC#N

InChI

InChI=1S/C16H13N3OS/c17-12-18-16(19-14-9-5-2-6-10-14)21-11-15(20)13-7-3-1-4-8-13/h1-10H,11H2,(H,18,19)