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

Systemtic Name: [5-azanyl-3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate Openeye Name: [5-amino-3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate CAS Name: thiocyanic acid [5-amino-3-(3-bromophenyl)-1-phenyl-4-pyrazolyl] ester IUPAC Name: [5-amino-3-(3-bromophenyl)-1-phenylpyrazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [5-amino-3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl] ester Formula: C16H11BrN4S MolecularWeight: 371.25434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN4S/c17-12-6-4-5-11(9-12)14-15(22-10-18)16(19)21(20-14)13-7-2-1-3-8-13/h1-9H,19H2