6-azanyl-N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]pyridine-3-carboxamide

Systemtic Name: 6-azanyl-N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]pyridine-3-carboxamide Openeye Name: 6-amino-N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: 6-amino-N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]-3-pyridinecarboxamide IUPAC Name: 6-amino-N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide Traditional Name: 6-amino-N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]nicotinamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CN=C(C=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)NCC#N)NC(=O)C2=CN=C(C=C2)N

InChI

InChI=1S/C18H19N5O2S/c19-8-9-21-18(25)15(12-26-11-13-4-2-1-3-5-13)23-17(24)14-6-7-16(20)22-10-14/h1-7,10,15H,9,11-12H2,(H2,20,22)(H,21,25)(H,23,24)