N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C(C)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C(\C)/C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H21N5OS/c1-15-12-16(2)26-23(25-15)30-14-19-6-10-21(11-7-19)22(29)28-27-17(3)20-8-4-18(13-24)5-9-20/h4-12H,14H2,1-3H3,(H,28,29)/b27-17+