6-[[2-[2-(phenylmethylsulfanyl)pyrimidin-4-yl]hydrazinyl]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-[2-(phenylmethylsulfanyl)pyrimidin-4-yl]hydrazinyl]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(2-benzylsulfanylpyrimidin-4-yl)hydrazino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(phenylmethylthio)-4-pyrimidinyl]hydrazo]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(2-benzylsulfanylpyrimidin-4-yl)hydrazinyl]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-[2-(benzylthio)pyrimidin-4-yl]hydrazino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNNC2=NC(=NC=C2)SCC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNNC2=NC(=NC=C2)SCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H22N4O2S/c1-2-12-27-18-9-8-17(19(26)13-18)14-23-25-20-10-11-22-21(24-20)28-15-16-6-4-3-5-7-16/h3-11,13-14,23H,2,12,15H2,1H3,(H,22,24,25)