6-ethyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-(1-naphthylmethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-(1-naphthalenylmethylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-(1-naphthylmethylthio)-1H-pyrimidine-5-carbonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC=CC3=CC=CC=C32)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC=CC3=CC=CC=C32)C#N

InChI

InChI=1S/C18H15N3OS/c1-2-16-15(10-19)17(22)21-18(20-16)23-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,11H2,1H3,(H,20,21,22)