2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylpyridine-3-carbonitrile

Systemtic Name: 2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylpyridine-3-carbonitrile Openeye Name: 2-(1-isopentylbenzimidazol-2-yl)sulfanylpyridine-3-carbonitrile CAS Name: 2-[[1-(3-methylbutyl)-2-benzimidazolyl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(1-isoamylbenzimidazol-2-yl)thio]nicotinonitrile Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1SC3=C(C=CC=N3)C#N

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1SC3=C(C=CC=N3)C#N

InChI

InChI=1S/C18H18N4S/c1-13(2)9-11-22-16-8-4-3-7-15(16)21-18(22)23-17-14(12-19)6-5-10-20-17/h3-8,10,13H,9,11H2,1-2H3