N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H19N7O2S MolecularWeight: 409.46486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C19H19N7O2S/c27-17-10-26(8-7-20-17)16-6-5-15(9-21-16)24-18(28)14-3-1-13(2-4-14)11-29-19-22-12-23-25-19/h1-6,9,12H,7-8,10-11H2,(H,20,27)(H,24,28)(H,22,23,25)