2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C14H18N6S MolecularWeight: 302.39792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C14H18N6S/c1-4-5-6-20-13(17-18-19-20)9-21-14-12(8-15)10(2)7-11(3)16-14/h7H,4-6,9H2,1-3H3