[5-azanyl-3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate

Systemtic Name: [5-azanyl-3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate Openeye Name: [5-amino-3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [5-amino-3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl] ester IUPAC Name: [5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-amino-3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl] ester Formula: C16H11ClN4S MolecularWeight: 326.80334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)Cl)SC#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)Cl)SC#N)N

InChI

InChI=1S/C16H11ClN4S/c17-12-8-6-11(7-9-12)14-15(22-10-18)16(19)21(20-14)13-4-2-1-3-5-13/h1-9H,19H2