4-methyl-N-[1,1,1-tris(chloranyl)-4-(pyridin-3-ylamino)-4-sulfanylidene-butan-2-yl]benzamide

Systemtic Name: 4-methyl-N-[1,1,1-tris(chloranyl)-4-(pyridin-3-ylamino)-4-sulfanylidene-butan-2-yl]benzamide Openeye Name: 4-methyl-N-[3-(3-pyridylamino)-3-thioxo-1-(trichloromethyl)propyl]benzamide CAS Name: 4-methyl-N-[1,1,1-trichloro-4-(3-pyridinylamino)-4-sulfanylidenebutan-2-yl]benzamide IUPAC Name: 4-methyl-N-[1,1,1-trichloro-4-(pyridin-3-ylamino)-4-sulfanylidenebutan-2-yl]benzamide Traditional Name: 4-methyl-N-[3-(3-pyridylamino)-3-thioxo-1-(trichloromethyl)propyl]benzamide Formula: C17H16Cl3N3OS MolecularWeight: 416.75244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC(=S)NC2=CN=CC=C2)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC(=S)NC2=CN=CC=C2)C(Cl)(Cl)Cl

InChI

InChI=1S/C17H16Cl3N3OS/c1-11-4-6-12(7-5-11)16(24)23-14(17(18,19)20)9-15(25)22-13-3-2-8-21-10-13/h2-8,10,14H,9H2,1H3,(H,22,25)(H,23,24)