1-(3-chlorophenyl)-5-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-5-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-5-[3-(2-thienyl)prop-2-enoylcarbamothioylamino]pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-5-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-5-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)pyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-5-[[3-(2-thienyl)acryloyl]thiocarbamoylamino]pyrazole-4-carboxamide Formula: C18H14ClN5O2S2 MolecularWeight: 431.91906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C=CC3=CC=CS3

InChI

InChI=1S/C18H14ClN5O2S2/c19-11-3-1-4-12(9-11)24-17(14(10-21-24)16(20)26)23-18(27)22-15(25)7-6-13-5-2-8-28-13/h1-10H,(H2,20,26)(H2,22,23,25,27)