4-[(4-methylphthalazin-1-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methylphthalazin-1-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-methylphthalazin-1-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-methyl-1-phthalazinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-methylphthalazin-1-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-methylphthalazin-1-yl)thio]methyl]benzonitrile Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N3S/c1-12-15-4-2-3-5-16(15)17(20-19-12)21-11-14-8-6-13(10-18)7-9-14/h2-9H,11H2,1H3