4-bromanyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide

Systemtic Name: 4-bromanyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide Openeye Name: 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide CAS Name: 4-bromo-N-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-1-pyrazolecarbothioamide IUPAC Name: 4-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-1-carbothioamide Traditional Name: 4-bromo-N-[1-(2-chlorobenzyl)pyrazol-4-yl]pyrazole-1-carbothioamide Formula: C14H11BrClN5S MolecularWeight: 396.69264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)NC(=S)N3C=C(C=N3)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)NC(=S)N3C=C(C=N3)Br)Cl

InChI

InChI=1S/C14H11BrClN5S/c15-11-5-18-21(8-11)14(22)19-12-6-17-20(9-12)7-10-3-1-2-4-13(10)16/h1-6,8-9H,7H2,(H,19,22)