N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=CC3=C(S2)CCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2=CC3=C(S2)CCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN4OS/c1-13-16(19(21)25(24-13)15-8-3-2-4-9-15)12-22-23-20(26)18-11-14-7-5-6-10-17(14)27-18/h2-4,8-9,11-12H,5-7,10H2,1H3,(H,23,26)/b22-12+