5-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]-1-(3-methylphenyl)pyrazole-4-carboxamide

Systemtic Name: 5-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]-1-(3-methylphenyl)pyrazole-4-carboxamide Openeye Name: 5-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]-1-(m-tolyl)pyrazole-4-carboxamide CAS Name: 5-[[[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-(3-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]-1-(3-methylphenyl)pyrazole-4-carboxamide Traditional Name: 5-[[3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-1-(m-tolyl)pyrazole-4-carboxamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21N5O3S/c1-14-4-3-5-16(12-14)27-21(18(13-24-27)20(23)29)26-22(31)25-19(28)11-8-15-6-9-17(30-2)10-7-15/h3-13H,1-2H3,(H2,23,29)(H2,25,26,28,31)