4-[(E)-3-(2-carbamothioylhydrazinyl)prop-2-enoyl]-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(E)-3-(2-carbamothioylhydrazinyl)prop-2-enoyl]-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide Openeye Name: 4-[(E)-3-(2-carbamothioylhydrazino)prop-2-enoyl]-5-methyl-N,1-diphenyl-pyrazole-3-carboxamide CAS Name: 4-[(E)-3-(carbamothioylhydrazo)-1-oxoprop-2-enyl]-5-methyl-N,1-diphenyl-3-pyrazolecarboxamide IUPAC Name: 4-[(E)-3-(2-carbamothioylhydrazinyl)prop-2-enoyl]-5-methyl-N,1-diphenylpyrazole-3-carboxamide Traditional Name: 5-methyl-N,1-diphenyl-4-[(E)-3-(N'-thiocarbamoylhydrazino)acryloyl]pyrazole-3-carboxamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)C=CNNC(=S)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)/C=C/NNC(=S)N

InChI

InChI=1S/C21H20N6O2S/c1-14-18(17(28)12-13-23-25-21(22)30)19(20(29)24-15-8-4-2-5-9-15)26-27(14)16-10-6-3-7-11-16/h2-13,23H,1H3,(H,24,29)(H3,22,25,30)/b13-12+