ethyl 3-[(4-bromophenyl)carbamothioylamino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[(4-bromophenyl)carbamothioylamino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)carbamothioylamino]-1-methyl-pyrazole-4-carboxylate CAS Name: 3-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)carbamothioylamino]-1-methylpyrazole-4-carboxylate Traditional Name: 3-[(4-bromophenyl)thiocarbamoylamino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C14H15BrN4O2S MolecularWeight: 383.2635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1NC(=S)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1NC(=S)NC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H15BrN4O2S/c1-3-21-13(20)11-8-19(2)18-12(11)17-14(22)16-10-6-4-9(15)5-7-10/h4-8H,3H2,1-2H3,(H2,16,17,18,22)