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

Systemtic Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-methyl-2-[(3-nitrophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-methyl-2-[(3-nitrobenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H10N4O3S/c1-8-11(6-14)12(18)16-13(15-8)21-7-9-3-2-4-10(5-9)17(19)20/h2-5H,7H2,1H3,(H,15,16,18)