[3,5-dimethyl-4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-3,5-dimethyl-phenyl] ester Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2C)SC#N)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C=C(C=C2C)SC#N)C

InChI

InChI=1S/C18H20N4O2S2/c1-4-5-13-8-15(23)22-18(20-13)25-9-16(24)21-17-11(2)6-14(26-10-19)7-12(17)3/h6-8H,4-5,9H2,1-3H3,(H,21,24)(H,20,22,23)