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

Systemtic Name: 1-(4-methylphenyl)-5-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)pyrazole-4-carboxamide Openeye Name: 1-(p-tolyl)-5-[3-(2-thienyl)prop-2-enoylcarbamothioylamino]pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-5-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-5-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)pyrazole-4-carboxamide Traditional Name: 1-(p-tolyl)-5-[[3-(2-thienyl)acryloyl]thiocarbamoylamino]pyrazole-4-carboxamide Formula: C19H17N5O2S2 MolecularWeight: 411.50058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C=CC3=CC=CS3

InChI

InChI=1S/C19H17N5O2S2/c1-12-4-6-13(7-5-12)24-18(15(11-21-24)17(20)26)23-19(27)22-16(25)9-8-14-3-2-10-28-14/h2-11H,1H3,(H2,20,26)(H2,22,23,25,27)