6-oxidanylidene-5-(phenylmethyl)-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate

Systemtic Name: 6-oxidanylidene-5-(phenylmethyl)-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate Openeye Name: 2-[2-(allylcarbamothioyl)hydrazino]-5-benzyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 6-oxo-5-(phenylmethyl)-2-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazo]-1H-pyrimidin-4-olate IUPAC Name: 5-benzyl-6-oxo-2-[2-(prop-2-enylcarbamothioyl)hydrazinyl]-1H-pyrimidin-4-olate Traditional Name: 2-[N'-(allylthiocarbamoyl)hydrazino]-5-benzyl-6-keto-1H-pyrimidin-4-olate Formula: C15H16N5O2S- MolecularWeight: 330.38484

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

C=CCNC(=S)NNC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H17N5O2S/c1-2-8-16-15(23)20-19-14-17-12(21)11(13(22)18-14)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,16,20,23)(H3,17,18,19,21,22)/p-1