6-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-cyclohexyl-2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-cyclohexyl-4-keto-2-[(3-nitrobenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=O)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H18N4O3S/c19-10-15-16(13-6-2-1-3-7-13)20-18(21-17(15)23)26-11-12-5-4-8-14(9-12)22(24)25/h4-5,8-9,13H,1-3,6-7,11H2,(H,20,21,23)