[(2Z)-5,5-bis(chloranyl)-2-methyl-penta-2,4-dienyl] N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: [(2Z)-5,5-bis(chloranyl)-2-methyl-penta-2,4-dienyl] N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-[(2Z)-5,5-dichloro-2-methyl-penta-2,4-dienyl]-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid [(2Z)-5,5-dichloro-2-methylpenta-2,4-dienyl] ester IUPAC Name: [(2Z)-5,5-dichloro-2-methylpenta-2,4-dienyl] N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[(2Z)-5,5-dichloro-2-methyl-penta-2,4-dienyl]-3-phenyl-isothiourea Formula: C14H13Cl2N3S MolecularWeight: 326.24412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(Cl)Cl)CSC(=NC1=CC=CC=C1)NC#N

Isomeric SMILES

C/C(=C/C=C(Cl)Cl)/CSC(=NC1=CC=CC=C1)NC#N

InChI

InChI=1S/C14H13Cl2N3S/c1-11(7-8-13(15)16)9-20-14(18-10-17)19-12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,18,19)/b11-7-