2-azanyl-6-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-6-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-6-[2-[benzyl(tert-butyl)amino]-2-oxo-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-6-[[2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl]thio]-5-cyano-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-6-[2-[benzyl(tert-butyl)amino]-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-6-[[2-[benzyl(tert-butyl)amino]-2-keto-ethyl]thio]-5-cyano-N-phenyl-nicotinamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C26H27N5O2S/c1-26(2,3)31(16-18-10-6-4-7-11-18)22(32)17-34-25-19(15-27)14-21(23(28)30-25)24(33)29-20-12-8-5-9-13-20/h4-14H,16-17H2,1-3H3,(H2,28,30)(H,29,33)