2-(2-methylphenyl)-3-oxidanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile

Systemtic Name: 2-(2-methylphenyl)-3-oxidanylidene-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile Openeye Name: 2-(o-tolyl)-3-oxo-3-(4,5,6,7-tetrahydrobenzothiophen-2-yl)propanenitrile CAS Name: 2-(2-methylphenyl)-3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile IUPAC Name: 2-(2-methylphenyl)-3-oxo-3-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanenitrile Traditional Name: 3-keto-2-(o-tolyl)-3-(4,5,6,7-tetrahydrobenzothiophen-2-yl)propionitrile Formula: C18H17NOS MolecularWeight: 295.39868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)C(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC1=CC=CC=C1C(C#N)C(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H17NOS/c1-12-6-2-4-8-14(12)15(11-19)18(20)17-10-13-7-3-5-9-16(13)21-17/h2,4,6,8,10,15H,3,5,7,9H2,1H3