N-(4-acetamidophenyl)-2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-butanamide Openeye Name: N-(4-acetamidophenyl)-2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]butanamide CAS Name: N-(4-acetamidophenyl)-2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]butanamide IUPAC Name: N-(4-acetamidophenyl)-2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylbutanamide Traditional Name: N-(4-acetamidophenyl)-2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]butyramide Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC=C(C=C3)NC(=O)C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(CC)C(=O)NC3=CC=C(C=C3)NC(=O)C)N)C#N

InChI

InChI=1S/C27H26N6O2S/c1-4-17-6-8-18(9-7-17)24-21(14-28)25(30)33-27(22(24)15-29)36-23(5-2)26(35)32-20-12-10-19(11-13-20)31-16(3)34/h6-13,23H,4-5H2,1-3H3,(H2,30,33)(H,31,34)(H,32,35)