N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4OS/c30-25(23-15-19-11-7-8-14-22(19)31-23)27-26-16-20-17-29(21-12-5-2-6-13-21)28-24(20)18-9-3-1-4-10-18/h1-6,9-10,12-13,15-17H,7-8,11,14H2,(H,27,30)