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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/C2=C(C3=C(S2)CCCC3)C(=O)N)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H19ClN4OS/c1-12-15(18(21)25(24-12)13-7-3-2-4-8-13)11-23-20-17(19(22)26)14-9-5-6-10-16(14)27-20/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,22,26)/b23-11+