2-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]amino]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O2S/c1-17-21(26(32)30(29-17)19-12-6-3-7-13-19)16-27-25-23(20-14-8-9-15-22(20)33-25)24(31)28-18-10-4-2-5-11-18/h2-7,10-13,16,27H,8-9,14-15H2,1H3,(H,28,31)/b21-16+