2-[[(E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[(E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[(E)-3-(1-adamantyl)-3-oxo-prop-1-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[(E)-3-(1-adamantyl)-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[(E)-3-(1-adamantyl)-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[(E)-3-(1-adamantyl)-3-keto-prop-1-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC=CC(=O)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N/C=C/C(=O)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C22H26N2OS/c23-13-18-17-3-1-2-4-19(17)26-21(18)24-6-5-20(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h5-6,14-16,24H,1-4,7-12H2/b6-5+