4-chloranyl-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C16H16ClN5OS2 MolecularWeight: 393.91414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=NN(C=C3Cl)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=NN(C=C3Cl)C

InChI

InChI=1S/C16H16ClN5OS2/c1-8-3-4-9-10(6-18)15(25-12(9)5-8)20-16(24)19-14(23)13-11(17)7-22(2)21-13/h7-8H,3-5H2,1-2H3,(H2,19,20,23,24)