(Z)-3-(4-nitrophenyl)-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enenitrile

Systemtic Name: (Z)-3-(4-nitrophenyl)-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enenitrile Openeye Name: (Z)-3-(4-nitrophenyl)-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enenitrile CAS Name: (Z)-3-(4-nitrophenyl)-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-2-propenenitrile IUPAC Name: (Z)-3-(4-nitrophenyl)-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enenitrile Traditional Name: (Z)-3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-3-(4-nitrophenyl)acrylonitrile Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(=CC#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S/C(=C\C#N)/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c1-2-3-12-10-15(21)19-16(18-12)24-14(8-9-17)11-4-6-13(7-5-11)20(22)23/h4-8,10H,2-3H2,1H3,(H,18,19,21)/b14-8-