4-[(6-dodecyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazin-2-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(6-dodecyl-4-oxidanylidene-thieno[2,3-d][1,3]oxazin-2-yl)amino]benzenecarbonitrile Openeye Name: 4-[(6-dodecyl-4-oxo-thieno[2,3-d][1,3]oxazin-2-yl)amino]benzonitrile CAS Name: 4-[(6-dodecyl-4-oxo-2-thieno[2,3-d][1,3]oxazinyl)amino]benzonitrile IUPAC Name: 4-[(6-dodecyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)amino]benzonitrile Traditional Name: 4-[(4-keto-6-lauryl-thieno[2,3-d][1,3]oxazin-2-yl)amino]benzonitrile Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC2=C(S1)N=C(OC2=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCCCC1=CC2=C(S1)N=C(OC2=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-17-22-23(31-21)28-25(30-24(22)29)27-20-15-13-19(18-26)14-16-20/h13-17H,2-12H2,1H3,(H,27,28)