2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-(3-pyridylmethyl)benzamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CN=CC=C2)SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H18N4O2S/c23-12-16-5-3-7-18(11-16)26-21(27)15-29-20-9-2-1-8-19(20)22(28)25-14-17-6-4-10-24-13-17/h1-11,13H,14-15H2,(H,25,28)(H,26,27)