4-(4,5-diphenylpyrimidin-2-yl)sulfanylbutanenitrile

Systemtic Name: 4-(4,5-diphenylpyrimidin-2-yl)sulfanylbutanenitrile Openeye Name: 4-(4,5-diphenylpyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[(4,5-diphenyl-2-pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(4,5-diphenylpyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(4,5-diphenylpyrimidin-2-yl)thio]butyronitrile Formula: C20H17N3S MolecularWeight: 331.43408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCCCC#N

InChI

InChI=1S/C20H17N3S/c21-13-7-8-14-24-20-22-15-18(16-9-3-1-4-10-16)19(23-20)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,14H2