2-(3-methylbutylsulfanyl)-4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(3-methylbutylsulfanyl)-4-oxidanylidene-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-isopentylsulfanyl-4-oxo-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-(3-methylbutylthio)-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(3-methylbutylsulfanyl)-4-oxo-6-thiophen-2-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(isoamylthio)-4-keto-6-(2-thienyl)-1H-pyrimidine-5-carbonitrile Formula: C14H15N3OS2 MolecularWeight: 305.4184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C(=C(N1)C2=CC=CS2)C#N

Isomeric SMILES

CC(C)CCSC1=NC(=O)C(=C(N1)C2=CC=CS2)C#N

InChI

InChI=1S/C14H15N3OS2/c1-9(2)5-7-20-14-16-12(11-4-3-6-19-11)10(8-15)13(18)17-14/h3-4,6,9H,5,7H2,1-2H3,(H,16,17,18)