4-bromanyl-N-(phenylmethyl)pyrazole-1-carbothioamide

Systemtic Name: 4-bromanyl-N-(phenylmethyl)pyrazole-1-carbothioamide Openeye Name: N-benzyl-4-bromo-pyrazole-1-carbothioamide CAS Name: 4-bromo-N-(phenylmethyl)-1-pyrazolecarbothioamide IUPAC Name: N-benzyl-4-bromopyrazole-1-carbothioamide Traditional Name: N-benzyl-4-bromo-pyrazole-1-carbothioamide Formula: C11H10BrN3S MolecularWeight: 296.1862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)N2C=C(C=N2)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N2C=C(C=N2)Br

InChI

InChI=1S/C11H10BrN3S/c12-10-7-14-15(8-10)11(16)13-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,16)