[4-[[1-(3-chlorophenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]phenyl] thiocyanate

Systemtic Name: [4-[[1-(3-chlorophenyl)-3-methylidene-5-oxidanylidene-pyrazolidin-4-ylidene]methylamino]phenyl] thiocyanate Openeye Name: [4-[[1-(3-chlorophenyl)-3-methylene-5-oxo-pyrazolidin-4-ylidene]methylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1-(3-chlorophenyl)-3-methylene-5-oxo-4-pyrazolidinylidene]methylamino]phenyl] ester IUPAC Name: [4-[[1-(3-chlorophenyl)-3-methylidene-5-oxopyrazolidin-4-ylidene]methylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[1-(3-chlorophenyl)-5-keto-3-methylene-pyrazolidin-4-ylidene]methylamino]phenyl] ester Formula: C18H13ClN4OS MolecularWeight: 368.84002

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=CNC2=CC=C(C=C2)SC#N)C(=O)N(N1)C3=CC(=CC=C3)Cl

Isomeric SMILES

C=C1C(=CNC2=CC=C(C=C2)SC#N)C(=O)N(N1)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H13ClN4OS/c1-12-17(10-21-14-5-7-16(8-6-14)25-11-20)18(24)23(22-12)15-4-2-3-13(19)9-15/h2-10,21-22H,1H2