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

Systemtic Name: N-[[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C28H22N4O3S MolecularWeight: 494.56428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)C6=CC=CC=C6

InChI

InChI=1S/C28H22N4O3S/c33-27(25-15-19-9-5-7-13-24(19)36-25)30-29-16-20-17-32(21-10-2-1-3-11-21)31-26(20)22-14-18-8-4-6-12-23(18)35-28(22)34/h1-4,6,8,10-12,14-17H,5,7,9,13H2,(H,30,33)